SCHEMBL1246422

SCHEMBL1246422

CCOC(=O)N(c1ccccc1Cl)c1c(-c2ccc(-c3cc(C(=O)O)ccn3)cc2)noc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.41
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 1/20 0.39
JMJD6 Q6NYC1 1/20 0.38
KDM4C Q9H3R0 6/20 0.37
KDM5A P29375 3/20 0.37
KDM5B Q9UGL1 3/20 0.37
NR1H4 Q96RI1 4/20 0.37
KDM2B Q8NHM5 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
LIFR P42702 1/20 0.37
GABRA5 P31644 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
KDM4A O75164 1/20 0.36

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
SCHEMBL1245320 0.89 NR1H4 (0.45) MAPTALDH1A1POLBHPGDNR1H4
SCHEMBL1247564 0.88 MAPT (0.42) MAPTALDH1A1POLBHPGDNR1H4
SCHEMBL1247097 0.87 GABRA5 (0.44) MAPTALDH1A1POLBHPGDGABRA5
SCHEMBL1247124 0.87 NR1H4 (0.43) KMOMAPTALDH1A1POLBHPGD
SCHEMBL3714244 0.86 KMO (0.41) KMOALDH1A1HPGDJMJD6KDM4C
SCHEMBL1246239 0.86 MAPT (0.39) MAPTALDH1A1POLBHPGDNR1H4
SCHEMBL1245111 0.85 NR1H4 (0.50) HPGDNR1H4LMNALIFR
SCHEMBL1246290 0.83 SCN9A (0.40) MAPTALDH1A1POLBHPGDLMNA
SCHEMBL1247222 0.83 ALDH1A1 (0.36) MAPTALDH1A1POLBHPGDLMNA
SCHEMBL1247806 0.83 GPBAR1 (0.43) MAPTALDH1A1POLBHPGDNR1H4

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-2462128-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-06-13 EP claimed
WO-2011017350-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-10 WO claimed