SCHEMBL10854809

SCHEMBL10854809

Cc1ccc(C=C2CCn3c2nc2cc(NC(=O)CCC(=O)O)ccc2c3=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NME2 P22392 2/20 0.66
▸ MEN1 O00255 6/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ BLM P54132 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL10854802 1.00 NME2 (0.66) NME2MEN1KMT2AKDM4EMAPT
SCHEMBL10858731 0.93 NME2 (0.66) NME2MEN1KMT2A
SCHEMBL10858502 0.93 NME2 (0.63) NME2MEN1KMT2AKDM4EMAPT
SCHEMBL10858499 0.93 NME2 (0.63) NME2MEN1KMT2AKDM4EMAPT
SCHEMBL10858737 0.93 NME2 (0.66) NME2MEN1KMT2A
SCHEMBL10849232 0.92 NME2 (0.65) NME2MEN1KMT2APOLB
SCHEMBL10849239 0.92 NME2 (0.65) NME2MEN1KMT2APOLB
SCHEMBL10858584 0.91 NME2 (0.62) NME2MEN1KMT2AKDM4EMAPT
SCHEMBL10858565 0.91 NME2 (0.62) NME2MEN1KMT2AKDM4EMAPT
SCHEMBL10850430 0.91 NME2 (0.60) NME2MEN1KMT2AKDM4EMAPT

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
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