SCHEMBL8435193

SCHEMBL8435193

CCCCc1nc(SCc2ccc(OC)cc2)c(C(=O)OCC)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 2/20 0.42
MMP13 P45452 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 2/20 0.40
TARBP2 Q15633 1/20 0.39
PDCD4 Q53EL6 1/20 0.39
GAA P10253 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL7718461 0.88 NPC1 (0.45) SMN1; SMN2LMNANPC1RAB9AKMT2A
SCHEMBL7491139 0.88 CTSB (0.44) SMN1; SMN2LMNAMMP13NPC1RAB9A
SCHEMBL8434256 0.85 ALDH1A1 (0.44) SMN1; SMN2LMNANPC1RAB9APOLB
SCHEMBL7489824 0.84 THRB (0.40) SMN1; SMN2LMNAMMP13NPC1RAB9A
SCHEMBL8823569 0.81 ALDH1A1 (0.40) SMN1; SMN2LMNANPC1RAB9APOLB
SCHEMBL7268595 0.77 ALDH1A1 (0.41) SMN1; SMN2LMNANPC1RAB9AKMT2A
SCHEMBL8823524 0.76 ALDH1A1 (0.36) SMN1; SMN2LMNANPC1RAB9APOLB
SCHEMBL8823589 0.75 TUBB4A (0.50) LMNANPC1RAB9AKMT2APOLB
Methane SCHEMBL7498094 0.74 NPC1 (0.46) SMN1; SMN2LMNAMMP13NPC1RAB9A
SCHEMBL7498087 0.74 NPC1 (0.46) SMN1; SMN2LMNAMMP13NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5932741-A TREATING ILLNESSES RESULTING FROM ABNORMAL STIMULATION OF ENDOTHELIN RECEPTORS HOECHST MARION ROUSSEL (FR) 1999-08-03 US disclosed
US-5811444-A IMIDAZOLE DERIVATIVES ROUSSEL UCLAF (FR) 1998-09-22 US disclosed
US-5714508-A INHIBITORS OF ANGIOTENSIN II ROUSSEL UCLAF (FR) 1998-02-03 US disclosed