SCHEMBL11079281

SCHEMBL11079281

COc1ccccc1C=C1CCn2c1nc1ccc(C(=O)O)cc1c2=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.66
▸ KMT2A Q03164 6/20 0.66
▸ RAB9A P51151 2/20 0.66
▸ KDM4E B2RXH2 1/20 0.66
▸ MAPT P10636 1/20 0.66
▸ HPGD P15428 3/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ POLB P06746 1/20 0.64
▸ THRB P10828 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ ALOX5 P09917 2/20 0.62
▸ NPC1 O15118 1/20 0.60
▸ NME2 P22392 1/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ TUBB4A P04350 2/20 0.54
▸ TUBB P07437 2/20 0.54
▸ TUBA3C P0DPH7 2/20 0.54
▸ TUBA1B P68363 2/20 0.54
▸ TUBA4A P68366 2/20 0.54

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
SCHEMBL11079278 1.00 MEN1 (0.66) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL11090763 0.95 HPGD (0.62) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL11090761 0.95 HPGD (0.62) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL11083471 0.89 KMT2A (0.70) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL11083468 0.89 KMT2A (0.70) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL11087084 0.87 RAB9A (0.61) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL11080898 0.87 RAB9A (0.61) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL11086751 0.87 RAB9A (0.61) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL11080895 0.87 RAB9A (0.61) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL11080441 0.85 KMT2A (0.70) MEN1KMT2ARAB9AKDM4EMAPT

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-4428952-A Substituted pyrrolo[2,1-b]quinazolines and pyrido[2,1-b]quinazolines useful for the treatment of or the prevention of gastrointestinal ulcers FARMITALIA CARLO ERBA S.P.A. (IT) 1984-01-31 — — US disclosed
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