SCHEMBL2728699

SCHEMBL2728699

O=CC(=O)Nc1cc(Cl)cc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.54
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
RAB9A P51151 1/20 0.50
P2RY1 P47900 1/20 0.47
POLB P06746 1/20 0.47
ACP1 P24666 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
P2RX1 P51575 1/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX7 Q99572 1/20 0.44
TMPRSS4 Q9NRS4 1/20 0.44
FABP4 P15090 1/20 0.44
IDO1 P14902 1/20 0.44
GRM4 Q14833 2/20 0.43
FADS1 O60427 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL15708595 0.84 EGFR (0.66) EGFRMEN1KMT2AMAPTNPSR1
SCHEMBL15708598 0.84 EGFR (0.66) EGFRMEN1KMT2AMAPTNPSR1
SCHEMBL4542528 0.80 MEN1 (0.67) EGFRMEN1KMT2AMAPTRAB9A
SCHEMBL15893618 0.78 NPC1 (0.63) EGFRMEN1KMT2AMAPTNPSR1
SCHEMBL9354309 0.78 EGFR (0.63) EGFRMEN1KMT2AMAPTNPSR1
SCHEMBL9354315 0.78 EGFR (0.63) EGFRMEN1KMT2AMAPTNPSR1
SCHEMBL19067081 0.78 EGFR (0.63) EGFRMEN1KMT2AMAPTNPSR1
SCHEMBL733110 0.78 NPSR1 (0.56) EGFRMEN1KMT2AMAPTNPSR1
SCHEMBL733111 0.78 NPSR1 (0.56) EGFRMEN1KMT2AMAPTNPSR1
SCHEMBL19911202 0.77 TGM2 (0.53) EGFRMEN1KMT2AMAPTNPSR1

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
EP-2632898-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS Biogen Idec MA Inc. (US) 2013-09-04 EP disclosed
WO-2012058645-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2012-05-03 WO disclosed