SCHEMBL11078932

SCHEMBL11078932

COc1ccc(-c2cnc(S)nc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.67
▸ MAPT P10636 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ MAPK10 P53779 1/20 0.49
▸ PTK2B Q14289 1/20 0.49
▸ NCOA1 Q15788 1/20 0.49
▸ NCOA3 Q9Y6Q9 1/20 0.49
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ PTGS2 P35354 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL11078956 0.93 KMT2A (0.58) KMT2AMAPTTP53TSHRMAPK1
SCHEMBL11083093 0.77 ADORA1 (0.57) KMT2APTGS2ADORA2AADORA1
SCHEMBL11077623 0.77 ADORA1 (0.53) KMT2AADORA2AADORA1
SCHEMBL10998119 0.76 KMT2A (0.61) KMT2AMAPTHTTLMNAALDH1A1
SCHEMBL9695434 0.76 KMT2A (0.66) KMT2AMAPTTP53TSHRMAPK1
SCHEMBL10999619 0.75 KMT2A (0.60) KMT2AMAPTTP53TSHRMAPK1
SCHEMBL9695584 0.75 NPC1 (0.60) KMT2AMAPTTP53TSHRMAPK1
SCHEMBL10999778 0.75 KMT2A (0.60) KMT2AMAPTTP53TSHRMAPK1
SCHEMBL5448851 0.74 KMT2A (0.86) KMT2AMAPTTP53TSHRMAPK1
SCHEMBL10820279 0.74 ALDH1A1 (0.51) KMT2AMAPTTP53LMNAALDH1A1

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-4438117-A ANALGESICS, ANTINFLAMMATORY AND ANTIARTHRITIC AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-03-20 — — US disclosed
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