SCHEMBL8925463

SCHEMBL8925463

CSc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 4/20 0.43
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42
GABRG3 Q99928 1/20 0.42
GABRQ Q9UN88 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.40
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38

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
SCHEMBL8925237 0.83 PTGS2 (0.54) MAP2K4PTGS1PTGS2
SCHEMBL8195709 0.77 GSK3B (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8188505 0.74 KDM4E (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8925681 0.72 GSK3B (0.44) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8637993 0.72 RXFP1 (0.34) KMT2AMAPTHTTPTGS2ALOX5
SCHEMBL8196657 0.68 MAPK14 (0.34) KDM4ERAB9APTGS1PTGS2ALOX5
SCHEMBL8953683 0.68 ENPP1 (0.41) MEN1KMT2ANPSR1SMN1; SMN2LMNA
SCHEMBL5203034 0.67 PTGS2 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3464473 0.66 MEN1 (0.51) MAPK1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10731646 0.65 MLYCD (0.52) MAP2K4GABRPGABRDGABRA1GABRB1

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-5670533-A ANTIINFLAMMATORY AGENTS, ANALGESICS OR ANTIRHEUMATIC DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed