SCHEMBL9314848

SCHEMBL9314848

CN(C)c1ccc(F)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.57
NEK2 P51955 1/20 0.57
LIMK1 P53667 1/20 0.57
DYRK1A Q13627 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
EP300 Q09472 1/20 0.55
KAT2B Q92831 1/20 0.55
KAT8 Q9H7Z6 1/20 0.55
POLB P06746 4/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CA2 P00918 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8990307 0.85 CHEK1 (0.73) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL29919884 0.85 CHEK1 (0.73) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL6562728 0.77 HPRT1 (0.46) MAPTHTTLMNANPSR1SLC6A4
SCHEMBL30366540 0.77 HPRT1 (0.46) MAPTHTTLMNANPSR1SLC6A4
SCHEMBL8720110 0.75 CHEK1 (0.65) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL1755244 0.74 CYP1A2 (0.62) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL29862285 0.74 CYP1A2 (0.62) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL29403281 0.74 NFE2L2 (0.53) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL11895872 0.74 NFE2L2 (0.53) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL11895869 0.74 NFE2L2 (0.53) CHEK1NEK2LIMK1DYRK1ACLK4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465880-B1 5-SULPHANYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE TO TREAT DISORDERS ASSOCIATED WITH SOMATOSTATINE IPSEN PHARMA (FR) 2009-08-05 EP disclosed
CN-1051702-C Preparing process of amine derivative and fungusicide containing amine derivative SCIENT RESEARCH AND PHARMACEUT (JP) 2000-04-26 CN disclosed
US-RE34770-E 1-benzothiophene derivatives; side effect reduction KAKEN PHARMACEUTICAL CO., LTD. (JP) 1994-11-01 US disclosed
US-5334628-A Amine derivatives, processes for preparing the same and fungicides containing the same KAKEN PHARMACEUTICAL CO., LTD. (JP) 1994-08-02 US disclosed
US-5200423-A AMINE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND FUNGICIDES CONTAINING THE SAME KAKEN PHARMACEUTICAL CO., LTD. (JP) 1993-04-06 US disclosed
US-5106866-A Skin disorders KAKEN PHARMACEUTICAL CO., LTD. (JP) 1992-04-21 US disclosed
US-5021458-A Amine derivatives and fungicides containing the same KAKEN PHARMACEUTICAL CO., LTD. (JP) 1991-06-04 US disclosed
EP-0164697-B1 AMINE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND FUNGICIDES CONTAINING THE SAME Kaken Pharmaceutical Co., Ltd. (JP) 1990-11-07 EP disclosed
CN-1007975-B Process for the preparation of amine derivatives KAKEN PHARMACEUFICAL CO LTD (JP) 1990-05-16 CN disclosed
CN-1035771-A Process for the preparation of amine derivatives and fungicides containing amine derivatives SCIENT RESEARCH AND PHARMACEUT (JP) 1989-09-27 CN disclosed
CN-85104330-A Process for the preparation of amine derivatives and fungicides containing amine derivatives 1986-12-03 CN disclosed
EP-0164697-A2 Amine derivatives, processes for preparing the same and fungicides containing the same Kaken Pharmaceutical Co., Ltd. (JP) 1985-12-18 EP disclosed