SCHEMBL11089276

SCHEMBL11089276

COc1ccc(C=C2CCCn3c2nc2cc(N)ccc2c3=O)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ TUBA3E Q6PEY2 6/20 0.51
▸ TUBA1A Q71U36 6/20 0.51
▸ TUBA1C Q9BQE3 6/20 0.51
▸ TUBB6 Q9BUF5 6/20 0.51
▸ TUBB2B Q9BVA1 6/20 0.51
▸ TUBB1 Q9H4B7 6/20 0.51
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPT P10636 1/20 0.49

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
SCHEMBL11089272 1.00 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11089420 0.94 RAB9A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11089416 0.94 RAB9A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11083073 0.94 MEN1 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11083066 0.94 MEN1 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11082408 0.90 HPGD (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11082405 0.90 HPGD (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11088152 0.88 KMT2A (0.57) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL11088151 0.88 KMT2A (0.57) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL11082483 0.87 RAB9A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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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