SCHEMBL11083066

SCHEMBL11083066

COc1ccc(OC)c(/C=C2\CCCn3c2nc2cc(N)ccc2c3=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HPGD P15428 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ TUBB4A P04350 6/20 0.51
▸ TUBB P07437 6/20 0.51
▸ TUBA3C P0DPH7 6/20 0.51
▸ TUBA1B P68363 6/20 0.51
▸ TUBA4A P68366 6/20 0.51
▸ TUBB4B P68371 6/20 0.51
▸ TUBB3 Q13509 6/20 0.51
▸ TUBB2A Q13885 6/20 0.51
▸ TUBB8 Q3ZCM7 6/20 0.51

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
SCHEMBL11083073 1.00 MEN1 (0.53) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL11088151 0.94 KMT2A (0.57) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL11088152 0.94 KMT2A (0.57) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL11089276 0.94 TUBB4A (0.51) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL11089272 0.94 TUBB4A (0.51) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL11082408 0.89 HPGD (0.54) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL11082405 0.89 HPGD (0.54) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL11089416 0.88 RAB9A (0.54) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL11085715 0.88 RAB9A (0.56) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL11089420 0.88 RAB9A (0.54) 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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