SCHEMBL11083488

SCHEMBL11083488

COc1ccc(C=C2CCn3c2nc2ccc(N)cc2c3=O)cc1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.78
▸ NPC1 O15118 1/20 0.78
▸ MEN1 O00255 5/20 0.69
▸ KMT2A Q03164 5/20 0.69
▸ MAPT P10636 2/20 0.69
▸ KDM4E B2RXH2 1/20 0.69
▸ ALOX5 P09917 2/20 0.62
▸ POLB P06746 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ THRB P10828 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ NME2 P22392 2/20 0.57
▸ TUBB4A P04350 5/20 0.56
▸ TUBB P07437 5/20 0.56
▸ TUBA3C P0DPH7 5/20 0.56
▸ TUBA1B P68363 5/20 0.56
▸ TUBA4A P68366 5/20 0.56
▸ TUBB4B P68371 5/20 0.56

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
SCHEMBL11083485 1.00 RAB9A (0.78) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL11080702 0.92 RAB9A (0.78) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL11080699 0.92 RAB9A (0.78) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL11090836 0.88 RAB9A (0.78) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL11090834 0.88 RAB9A (0.78) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL11090209 0.88 CCR3 (0.61) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL11090215 0.88 CCR3 (0.61) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL21992755 0.88 RAB9A (1.00) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL14882372 0.88 RAB9A (1.00) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL11085869 0.86 MEN1 (0.69) RAB9ANPC1MEN1KMT2AMAPT

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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