SCHEMBL11548968

SCHEMBL11548968

COc1ccc2occ(-c3nnn[nH]3)c(=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAOB P27338 8/20 0.47
▸ MAOA P21397 6/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ PTGS2 P35354 2/20 0.46
▸ XDH P47989 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
SCHEMBL11553593 0.81 ALDH1A1 (0.45) MAPTSMN1; SMN2MAOBMAOARAB9A
SCHEMBL11550765 0.81 TP53 (0.37) MAPTSMN1; SMN2MEN1KMT2AMAOB
SCHEMBL11548529 0.80 TP53 (0.36) MAPTSMN1; SMN2MEN1KMT2AMAOB
SCHEMBL10452829 0.78 KDM4E (0.61) MAPTSMN1; SMN2MEN1KMT2AMAOA
SCHEMBL11548259 0.78 NISCH (0.50) MAPTSMN1; SMN2MAOBMAOARAB9A
SCHEMBL11503586 0.76 ALOX15 (0.34) MAPTSMN1; SMN2MAOBMAOARAB9A
SCHEMBL28172130 0.76 RAB9A (0.67) MAPTSMN1; SMN2MEN1KMT2AMAOB
SCHEMBL29640433 0.76 RAB9A (0.67) MAPTSMN1; SMN2MEN1KMT2AMAOB
SCHEMBL10452882 0.75 KDM4E (0.57) MAPTSMN1; SMN2MEN1KMT2AMAOB
SCHEMBL10452923 0.74 KDM4E (0.56) MAPTSMN1; SMN2MEN1KMT2AMAOB

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-4151180-A INTERMEDIATES FOR ANTIALLERGENS, ANTIHISTAMINES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-04-24 — — US disclosed
US-4116971-A 3-(1H-TETRAZOL-5-YL)CHROMONES WARNER-LAMBERT COMPANY (US) 1978-09-26 — — US disclosed
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