SCHEMBL8073867

SCHEMBL8073867

COc1cc2c(N(N)C(=O)/C(C)=C\C=O)nc(-c3cccs3)nc2c(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ MAPT P10636 5/20 0.38
▸ LMNA P02545 4/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ TP53 P04637 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TUBB4A P04350 3/20 0.38
▸ TUBB P07437 3/20 0.38
▸ TUBA3C P0DPH7 3/20 0.38
▸ TUBA1B P68363 3/20 0.38
▸ TUBA4A P68366 3/20 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
SCHEMBL8070774 0.86 MAPK1 (0.43) ALDH1A1MAPTLMNASMN1; SMN2TP53
SCHEMBL8059772 0.86 XPO1 (0.39) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL8073720 0.80 MAPT (0.45) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL8068677 0.80 MAPT (0.45) ALDH1A1MAPTLMNASMN1; SMN2TP53
SCHEMBL8075301 0.79 XPO1 (0.51) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL8070392 0.78 TDP1 (0.52) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL8059722 0.76 TDP1 (0.40) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL8059718 0.73 XPO1 (0.38) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL8068659 0.73 ALDH1A1 (0.47) ALDH1A1MAPTLMNASMN1; SMN2TP53
SCHEMBL8070457 0.72 ALDH1A1 (0.48) ALDH1A1MAPTLMNASMN1; SMN2TP53

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-6150372-A IMMUNOINFLAMMATORY AND AUTOIMMUNE DISEASES; BLOCKING INTRACELLULAR SIGNAL TRANSDUCTION AND ACTIVATION OF TRANSCRIPTION FACTORS; KINASE INHIBITORS; ANTIARTHRITIC, ISCHEMIC AGENTS, MULTIPLE SCLEROSIS, TRANSPLANT REJECTION SIGNAL PHARMACEUTICALS, INC. (US) 2000-11-21 — — US disclosed
US-5939421-A TREATMENT OF IMMUNOINFLAMMATORY AND AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS, TRANSPLANT REJECTION; INHIBIT KINASE(S) THAT REGULATE ACTIVATION OF TRANSCRIPTION FACTORS TO PREVENT PRODUCTION OF INFLAMMATORY PROTEINS SIGNAL PHARMACEUTICALS, INC. (US) 1999-08-17 — — US disclosed
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