SCHEMBL7845700

SCHEMBL7845700

O=C(NCc1ccc(Cl)cc1)c1c[nH]c2ccc(I)cc2c1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 1/20 0.61
ADORA2A P29274 2/20 0.57
ADORA1 P30542 2/20 0.57
POLB P06746 4/20 0.54
MEN1 O00255 2/20 0.52
GABRP O00591 2/20 0.52
GABRD O14764 2/20 0.52
GABRA1 P14867 2/20 0.52
GABRB1 P18505 2/20 0.52
GABRG2 P18507 2/20 0.52
GABRB3 P28472 2/20 0.52
GABRA5 P31644 2/20 0.52
GABRA3 P34903 2/20 0.52
GABRA2 P47869 2/20 0.52
GABRB2 P47870 2/20 0.52
GABRA4 P48169 2/20 0.52
GABRE P78334 2/20 0.52
KMT2A Q03164 2/20 0.52
GABRA6 Q16445 2/20 0.52
GABRG1 Q8N1C3 2/20 0.52

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
SCHEMBL7834823 0.85 NHERF1 (0.60) NHERF1ADORA2AADORA1POLBMEN1
SCHEMBL6818435 0.84 POLB (0.67) NHERF1ADORA2AADORA1POLBMEN1
SCHEMBL6230550 0.84 NHERF1 (0.68) NHERF1ADORA2AADORA1POLBGABRP
SCHEMBL6204128 0.84 NHERF1 (0.68) NHERF1ADORA2AADORA1POLBGABRP
SCHEMBL7842334 0.84 NHERF1 (0.58) NHERF1ADORA2AADORA1POLBMEN1
SCHEMBL6201470 0.84 ADORA2A (0.60) NHERF1ADORA2AADORA1POLBMEN1
Hydrochloric Acid SCHEMBL6206076 0.83 NHERF1 (0.67) NHERF1ADORA2AADORA1POLBGABRP
SCHEMBL6205349 0.82 NHERF1 (0.65) NHERF1ADORA2AADORA1POLBGABRP
SCHEMBL6195763 0.81 NHERF1 (0.58) NHERF1ADORA2AADORA1POLBMEN1
SCHEMBL6195771 0.81 NHERF1 (0.58) NHERF1ADORA2AADORA1POLBMEN1

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-1140850-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-10-10 EP disclosed
US-6248739-B1 DNA POLYMERASE INHIBITORS EFFECTIVE AGAINST HERPESVIRUSES PHARMACIA & UPJOHN COMPANY 2001-06-19 US disclosed
WO-2000040561-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 WO disclosed