SCHEMBL10854995

SCHEMBL10854995

CCOc1ccc(/C=C2\CCn3c2nc2cc(NC(=O)C(=O)O)ccc2c3=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.59
MAPT P10636 2/20 0.59
ALDH1A1 P00352 1/20 0.59
MCL1 Q07820 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MEN1 O00255 5/20 0.55
POLB P06746 1/20 0.55
NME2 P22392 1/20 0.55
BLM P54132 1/20 0.53
KDM4E B2RXH2 1/20 0.51
RAB9A P51151 1/20 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
SCHEMBL10855004 1.00 KMT2A (0.59) KMT2AMAPTALDH1A1MCL1NPSR1
SCHEMBL10853596 0.93 KMT2A (0.62) KMT2AMAPTALDH1A1MCL1NPSR1
SCHEMBL10853602 0.93 KMT2A (0.62) KMT2AMAPTALDH1A1MCL1NPSR1
SCHEMBL10854303 0.93 KMT2A (0.56) KMT2AMAPTALDH1A1MCL1NPSR1
SCHEMBL10854297 0.93 KMT2A (0.56) KMT2AMAPTALDH1A1MCL1NPSR1
SCHEMBL10854293 0.93 KMT2A (0.56) KMT2AMAPTALDH1A1MCL1NPSR1
SCHEMBL10851710 0.91 KMT2A (0.53) KMT2AMAPTALDH1A1MCL1NPSR1
SCHEMBL10851724 0.91 KMT2A (0.53) KMT2AMAPTALDH1A1MCL1NPSR1
SCHEMBL10853242 0.91 KMT2A (0.59) KMT2AMAPTALDH1A1MCL1NPSR1
SCHEMBL10853231 0.91 KMT2A (0.59) KMT2AMAPTALDH1A1MCL1NPSR1

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-4579847-A Amino derivatives of benzylidene-pyrrolo[2,1-b]quinazolines useful for treating conditions of allergic origin FARMITALIA CARLO ERBA S.P.A. (IT) 1986-04-01 US disclosed