SCHEMBL11089133

SCHEMBL11089133

Cc1cccc(/C=C2\CCCn3c2nc2cc(C(=O)O)ccc2c3=O)c1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.67
KMT2A Q03164 10/20 0.66
MEN1 O00255 9/20 0.66
HPGD P15428 3/20 0.66
NPSR1 Q6W5P4 3/20 0.66
MAPT P10636 2/20 0.65
KDM4E B2RXH2 1/20 0.65
RAB9A P51151 1/20 0.65
ALDH1A1 P00352 2/20 0.63
THRB P10828 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MCL1 Q07820 1/20 0.57

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
SCHEMBL11089135 1.00 POLB (0.67) POLBKMT2AMEN1HPGDNPSR1
SCHEMBL11083512 0.95 KMT2A (0.72) POLBKMT2AMEN1HPGDNPSR1
SCHEMBL11083516 0.95 KMT2A (0.72) POLBKMT2AMEN1HPGDNPSR1
SCHEMBL11084886 0.93 HPGD (0.59) POLBKMT2AMEN1HPGDNPSR1
SCHEMBL11084884 0.93 HPGD (0.59) POLBKMT2AMEN1HPGDNPSR1
SCHEMBL11089900 0.91 POLB (0.75) POLBKMT2AMEN1HPGDNPSR1
SCHEMBL11087361 0.91 POLB (0.75) POLBKMT2AMEN1HPGDNPSR1
SCHEMBL11089189 0.88 KMT2A (0.65) POLBKMT2AMEN1HPGDNPSR1
SCHEMBL11089193 0.88 KMT2A (0.65) POLBKMT2AMEN1HPGDNPSR1
SCHEMBL11086231 0.86 MEN1 (0.54) POLBKMT2AMEN1HPGDNPSR1

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