SCHEMBL9260504

SCHEMBL9260504

CC(C)(C)NC(=O)NCc1ccc(CN)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 9/20 0.58
RAB9A P51151 3/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PRSS1 P07477 3/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PLG P00747 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
PPIB P23284 1/20 0.43
PPIA P62937 1/20 0.43

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
SCHEMBL7478785 0.86 PPID (0.57) RAB9ANPC1SMN1; SMN2MAPTMEN1
Hydrochloric Acid SCHEMBL7958951 0.85 PPID (0.56) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL10263540 0.83 HPGD (0.61) RAB9ANPC1SMN1; SMN2TSHRMEN1
SCHEMBL8790625 0.82 MAPT (0.70) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL2580217 0.79 CA1 (0.66) TPSAB1SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL27113634 0.77 TPSAB1 (0.64) TPSAB1CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL5879548 0.77 CYP1A2 (0.76) TPSAB1SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL10587479 0.76 RAB9A (0.49) RAB9ANPC1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL8404729 0.76 TPSAB1 (0.68) TPSAB1RAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL12944908 0.76 TSHR (0.62) RAB9ANPC1SMN1; SMN2TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5384425-A Diurea derivatives useful as medicaments and processes for the preparation thereof YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-01-24 US disclosed
EP-0325397-B1 DIUREA DERIVATIVES USEFUL AS MEDICAMENTS AND PROCESSES FOR THE PREPARATION THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-08-18 EP disclosed
US-5227492-A Anticholesterol agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
US-5166429-A Enzyme inhibitors of acylcoenzyme A cholesterol transferase as anticholesterol agents or antideposit agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-24 US disclosed
US-5091419-A Anticholesterol agent YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-02-25 US disclosed
EP-0325397-A1 Diurea derivatives useful as medicaments and processes for the preparation thereof YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1989-07-26 EP disclosed