SCHEMBL14280388

SCHEMBL14280388

COc1ccc2c(c1)c(=O)c1ccccc1n2Cc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 3/20 0.77
TSHR P16473 1/20 0.70
MAPK1 P28482 1/20 0.70
KMT2A Q03164 1/20 0.70
NTRK1 P04629 1/20 0.65
ACHE P22303 1/20 0.63
PLA2G2A P14555 8/20 0.58
PLA2G1B P04054 1/20 0.58
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 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
SCHEMBL5446428 0.88 P2RX4 (0.67) P2RX4TSHRMAPK1KMT2ANTRK1
SCHEMBL14160793 0.87 P2RX4 (1.00) P2RX4MAPK1KMT2ANTRK1ACHE
SCHEMBL21365454 0.86 P2RX4 (0.72) P2RX4TSHRMAPK1KMT2ANTRK1
SCHEMBL5446424 0.85 P2RX4 (0.66) P2RX4TSHRMAPK1KMT2ANTRK1
SCHEMBL11382265 0.85 ALDH1A1 (0.68) P2RX4TSHRMAPK1KMT2ANTRK1
SCHEMBL14280399 0.83 P2RX4 (0.63) P2RX4TSHRMAPK1KMT2AACHE
SCHEMBL28041337 0.82 P2RX4 (0.86) P2RX4MAPK1KMT2ANTRK1ALDH1A1
SCHEMBL24525575 0.82 P2RX4 (0.58) P2RX4TSHRMAPK1KMT2ANTRK1
SCHEMBL29904927 0.82 P2RX4 (1.00) P2RX4MAPK1KMT2ANTRK1ALDH1A1
SCHEMBL14160818 0.82 P2RX4 (1.00) P2RX4MAPK1KMT2ANTRK1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080020323-A1 Light sensitive planographic printing plate material KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2008-01-24 US disclosed
US-20080020323-A1 Light sensitive planographic printing plate material KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2008-01-24 US disclosed