SCHEMBL8051201

SCHEMBL8051201

CCCCC(CC)CNc1nc(NCC(CC)CCCC)nc(N2CCCCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ NPSR1 Q6W5P4 3/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MAPT P10636 1/20 0.43
▸ GBA1 P04062 6/20 0.40
▸ TSHR P16473 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALOX15 P16050 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36

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
SCHEMBL8057381 0.87 TSHR (0.54) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7776211 0.82 ALDH1A1 (0.57) LMNAKMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL7774642 0.78 LMNA (0.73) LMNAMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL7774846 0.78 ALDH1A1 (0.48) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL8050048 0.76 ALDH1A1 (0.50) KMT2AGBA1TSHRALDH1A1CYP3A4
SCHEMBL8051374 0.76 ALDH1A1 (0.50) LMNASMN1; SMN2TSHRALDH1A1CYP3A4
SCHEMBL9913727 0.76 LMNA (0.75) LMNAMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL8050942 0.76 LMNA (0.69) LMNAMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL7776357 0.75 ALDH1A1 (0.48) LMNAMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL8611070 0.74 MEN1 (0.79) LMNAMEN1KMT2ANPSR1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6124381-A CURING ACCELERATOR IS A 2-((MONO- OR DI-ALKYL)AMINO, MORPHOLINO, PIPERIDINO, METHYL OR PHENYL)-4,6-SUBSTITUTED DIAMINO-1,3,5-TRIAZINE OF GIVEN FORMULA; POT LIFE, STORAGE STABILITY, AND WORKABILITY NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-26 — — US disclosed
EP-0834523-A1 EPOXY/ACID ANHYDRIDE COMPOSITION NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-04-08 — — EP disclosed
Send feedback