SCHEMBL8536579

SCHEMBL8536579

CCCNC(=S)C(C#N)=C(c1ccccc1)c1cc(C(C)C)c(O)c(C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
MAPT P10636 4/20 0.39
KDR P35968 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 4/20 0.38
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
KMT2A Q03164 1/20 0.34
BCL2 P10415 2/20 0.34
MCL1 Q07820 1/20 0.34
POLB P06746 1/20 0.33
ALOX12 P18054 2/20 0.32
BRD4 O60885 1/20 0.31
XBP1 P17861 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL29115779 0.78 GABRA1 (0.52) GABRA1GABRB1MAPTKDRSMN1; SMN2
SCHEMBL29115883 0.77 GABRA1 (0.57) GABRA1GABRB1MAPTKDRSMN1; SMN2
SCHEMBL29115673 0.70 GABRA1 (0.49) GABRA1GABRB1MAPTKDRSMN1; SMN2
SCHEMBL8536575 0.65 GABRA1 (0.37) GABRA1GABRB1MAPTKDRSMN1; SMN2
SCHEMBL5362540 0.65 MAPT (0.78) MAPTKDRSMN1; SMN2LMNAGAA
SCHEMBL5362544 0.65 MAPT (0.78) MAPTKDRSMN1; SMN2LMNAGAA
SCHEMBL5362536 0.65 MAPT (0.78) MAPTKDRSMN1; SMN2LMNAGAA
SCHEMBL1815924 0.61 POLB (0.68) MAPTLMNAGAAALDH1A1KMT2A
SCHEMBL29405385 0.60 GABRA1 (1.00) GABRA1GABRB1MAPTSMN1; SMN2LMNA
SCHEMBL12387037 0.59 ALDH1A1 (0.47) MAPTSMN1; SMN2LMNAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5849742-A Compounds for the treament of disorders related to vasculogenesis and/or angiogenesis SUGEN INC. (US) 1998-12-15 US disclosed
US-5792771-A FOR TREATING TUMORS, VASCULAR SYSTEM DISORDERS, DIABETES, DIABETIC RETINOPATHY, RHEUMATOID ARTHRITIS AND HEMANGIOMA SUGEN, INC. (US) 1998-08-11 US disclosed
US-5763441-A ADMINISTERING TO THE PATIENT SUFFERING FROM DIABETES, GLIOMA, HEMANGIOMA, KAPOSI'S SARCOMA, OVARIAN/BREAST/PANCREATIC/COLON AND PROSTATE CANCER A BENZO(G)QUINOXALINE COMPOUNDS SUGEN, INC. (US) 1998-06-09 US disclosed
US-5712395-A BENZO(G)QUINOXALINE YISSUM RESEARCH DEVELOPMENT CORP. (IL) 1998-01-27 US disclosed