SCHEMBL1294

SCHEMBL1294

Cc1noc(-c2ccc(Br)cc2)c1/C(=C\C(F)(F)CO)c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ADCY1 Q08828 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL1633 0.90 NR1H4 (0.33) KDM4EALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL2369 0.71 CYP1A2 (0.35) KDM4EALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL1736 0.71 NR1H4 (0.35) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL7197 0.70 TBXAS1 (0.39) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL4758 0.69 IP6K1 (0.40) MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL3368 0.68 IP6K1 (0.39) MEN1KMT2ASMN1; SMN2
SCHEMBL8250811 0.66 PTPN1 (0.36) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7735 0.66 MEN1 (0.34) MEN1KMT2ANPC1MAPTNPSR1
SCHEMBL8243211 0.66 ALDH1A1 (0.64) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL31526126 0.66 ALDH1A1 (0.59) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
EP-2483253-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041729-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed