SCHEMBL11564460

SCHEMBL11564460

O=C(O)c1ccc2c(=O)cc(-c3cnccn3)oc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.46
▸ QPCT Q16769 2/20 0.43
▸ TTR P02766 5/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ PIM2 Q9P1W9 1/20 0.43
▸ CYP19A1 P11511 2/20 0.39
▸ AKR1B1 P15121 2/20 0.39
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ AKR1B10 O60218 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ CALM1 P0DP23 1/20 0.39
▸ HSD17B1 P14061 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HSD17B3 P37058 1/20 0.39
▸ XDH P47989 1/20 0.39

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
SCHEMBL11565575 0.90 TNKS (0.46) TNKSTTRPIM1PIM2CALM1
SCHEMBL11558273 0.84 TNKS (0.53) TNKSQPCTTTRCYP19A1AKR1B1
SCHEMBL11565093 0.80 TNKS (0.55) TNKSQPCTTTRCYP19A1AKR1B1
SCHEMBL6497044 0.74 TNKS (0.74) TNKSQPCTTTRCYP19A1AKR1B1
SCHEMBL11561361 0.73 AHR (0.56) TNKSTTRCYP1A2CALM1PKM
SCHEMBL11564062 0.73 PDE4B (0.38) PIM1PIM2CYP1A2CYP1B1KDM4E
SCHEMBL11558265 0.71 CYP1A1 (0.36) TNKSPIM1PIM2CYP1A2CYP1B1
SCHEMBL11561056 0.71 ALDH1A1 (0.53) TNKSTTRCYP19A1AKR1B1MAOA
SCHEMBL16377338 0.71 ROCK2 (0.60) TTRPARP1CSNK2A1
SCHEMBL11382936 0.70 PIM1 (0.45) TTRPIM1PIM2MAOACSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4115567-A TREATMENT OF ALLERGIES CARLO ERBA S. P. A. (IT) 1978-09-19 — — US claimed
US-4148900-A ANTIALLERGIC CARLO ERBA S.P.A. (IT) 1979-04-10 — — US disclosed
US-4115567-A TREATMENT OF ALLERGIES CARLO ERBA S. P. A. (IT) 1978-09-19 — — US disclosed
US-4083953-A ANTIALLERGENS CARLO ERBA, S.P.A. (IT) 1978-04-11 — — US disclosed
US-4065467-A ANTIALLERGENS, ANTIULCER AGENTS, TREATMENT OF RESPIRATORY SYSTEM AND PULMONARY DISORDERS CARLO ERBA, S. P. A. (IT) 1977-12-27 — — US disclosed
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