SCHEMBL7845524

SCHEMBL7845524

Cc1cc2[nH]cc(C(=O)NCc3ccc(Cl)cc3)c(=O)c2cc1CCCOP(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.50
ADORA2A P29274 2/20 0.50
ADORA1 P30542 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NHERF1 O14745 1/20 0.44
MAPT P10636 3/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
BACE1 P56817 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41

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
SCHEMBL7846392 0.77 ADORA2A (0.55) POLBADORA2AADORA1SMN1; SMN2NPC1
SCHEMBL7843906 0.76 MAPT (0.46) POLBNPC1RAB9ANHERF1MAPT
SCHEMBL6698829 0.73 MAPT (0.58) POLBMAPTTP53MEN1KMT2A
SCHEMBL7834823 0.72 NHERF1 (0.60) POLBADORA2AADORA1SMN1; SMN2NPC1
SCHEMBL6818435 0.71 POLB (0.67) POLBADORA2AADORA1SMN1; SMN2NPC1
SCHEMBL6225747 0.71 ADORA2A (0.60) POLBADORA2AADORA1SMN1; SMN2NPC1
SCHEMBL7845700 0.71 NHERF1 (0.61) POLBADORA2AADORA1SMN1; SMN2NPC1
SCHEMBL6230550 0.71 NHERF1 (0.68) POLBADORA2AADORA1SMN1; SMN2NHERF1
SCHEMBL6201470 0.71 ADORA2A (0.60) POLBADORA2AADORA1SMN1; SMN2NPC1
SCHEMBL7842334 0.71 NHERF1 (0.58) POLBADORA2AADORA1SMN1; SMN2NHERF1

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-1140850-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-10-10 EP disclosed
WO-2000040561-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 WO disclosed