SCHEMBL6201470

SCHEMBL6201470

CSc1ccc2[nH]cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.60
ADORA1 P30542 2/20 0.60
NHERF1 O14745 1/20 0.58
POLB P06746 5/20 0.54
MAPT P10636 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
MEN1 O00255 1/20 0.49
GABRP O00591 1/20 0.49
GABRD O14764 1/20 0.49
GABRA1 P14867 1/20 0.49
GABRB1 P18505 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49
GABRA4 P48169 1/20 0.49

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
SCHEMBL7845700 0.84 NHERF1 (0.61) ADORA2AADORA1NHERF1POLBMAPT
SCHEMBL6230550 0.84 NHERF1 (0.68) ADORA2AADORA1NHERF1POLBMAPT
SCHEMBL7842334 0.83 NHERF1 (0.58) ADORA2AADORA1NHERF1POLBMAPT
Hydrochloric Acid SCHEMBL6206076 0.83 NHERF1 (0.67) ADORA2AADORA1NHERF1POLBMAPT
SCHEMBL7834823 0.83 NHERF1 (0.60) ADORA2AADORA1NHERF1POLBMAPT
SCHEMBL6818435 0.82 POLB (0.67) ADORA2AADORA1NHERF1POLBSMN1; SMN2
SCHEMBL6205349 0.82 NHERF1 (0.65) ADORA2AADORA1NHERF1POLBMAPT
SCHEMBL6204128 0.81 NHERF1 (0.68) ADORA2AADORA1NHERF1POLBMAPT
Hydrochloric Acid SCHEMBL6205703 0.80 NHERF1 (0.63) ADORA2AADORA1NHERF1POLBMAPT
SCHEMBL6195763 0.78 NHERF1 (0.58) ADORA2AADORA1NHERF1POLBMAPT

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
EP-1042295-B1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2005-09-07 EP claimed