SCHEMBL8945920

SCHEMBL8945920

CNC(CNC(=O)C(C)(C)Cc1ccccc1)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
RIPK1 Q13546 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 2/20 0.38
TP53 P04637 4/20 0.38
LMNA P02545 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
MMP8 P22894 2/20 0.37
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8945941 0.82 RIPK1 (0.39) RIPK1MAPTOPRK1LMNACYP2D6
SCHEMBL8945878 0.81 RIPK1 (0.39) MMP1MMP9MMP13RIPK1OPRK1
SCHEMBL8945899 0.80 OPRK1 (0.41) MMP1MMP9MMP13RIPK1MAPT
SCHEMBL8945836 0.80 OPRK1 (0.41) RIPK1MAPTOPRK1LMNACYP3A4
SCHEMBL8945854 0.76 RIPK1 (0.40) RIPK1MAPTOPRK1CYP3A4CYP2D6
SCHEMBL8945943 0.74 L3MBTL1 (0.44) OPRK1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL8946105 0.71 RIPK1 (0.38) MMP1MMP9MMP13RIPK1MMP8
SCHEMBL1143876 0.70 ALOX5 (0.41) TP53LMNATSHRCYP2C19RAB9A
Hydrochloric Acid SCHEMBL9482649 0.70 TAAR1 (0.46) MAPTCYP3A4CYP2D6CYP2C19HPGD
SCHEMBL1883138 0.70 RIPK1 (0.47) RIPK1MAPTOPRK1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510346-A ANTIDEPRESSANTS, ANTIANXIETY AGENTS HOECHST MARION ROUSSEL, INC. (US) 1996-04-23 US disclosed