SCHEMBL6974698

SCHEMBL6974698

C=Cc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1-c1ccccc1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 3/20 0.43
GABRB2 P47870 3/20 0.43
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 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
SCHEMBL7815238 0.92 GABRA2 (0.49) GABRA2GABRB2MAPTNPC1NFKB1
SCHEMBL6971455 0.86 GABRA2 (0.38) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL6974157 0.75 GABRA2 (0.52) GABRA2GABRB2MAPTNPC1NFKB1
SCHEMBL6974502 0.73 GABRA2 (0.45) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL7815528 0.72 GABRA2 (0.47) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL27477232 0.72 GABRA2 (0.49) GABRA2GABRB2MAPTNPC1NFKB1
SCHEMBL6553904 0.69 GABRA2 (0.44) GABRA2GABRB2SMN1; SMN2GABRPGABRD
SCHEMBL6959168 0.68 GABRA2 (0.45) GABRA2GABRB2MAPTNPC1NFKB1
SCHEMBL15452465 0.67 PTGS2 (0.71) MAPTSMN1; SMN2MEN1HPGDKMT2A
SCHEMBL8444622 0.66 GABRA2 (0.52) GABRA2GABRB2MAPTNPC1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946515-B1 PARASITICIDAL PYRAZOLES PFIZER LTD (GB) 2003-03-05 EP disclosed
US-6268509-B1 PESTICIDES PFIZER INC 2001-07-31 US disclosed
US-6075043-A Parasiticidal pyrazoles PFIZER INC. (US) 2000-06-13 US disclosed