SCHEMBL7846612

SCHEMBL7846612

COCCOCCN(Cc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccc(CN3CCC(=O)CC3)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
KMT2A Q03164 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CFTR P13569 1/20 0.38
POLB P06746 1/20 0.37
PYGL P06737 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 2/20 0.36
HPGD P15428 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL6667769 0.92 ALDH1A1 (0.43) HSD17B10KMT2AHDAC1HDAC6POLB
SCHEMBL7848275 0.92 ALDH1A1 (0.43) HSD17B10KMT2AHDAC1HDAC6POLB
SCHEMBL7858072 0.86 HSD17B10 (0.46) HSD17B10KMT2ACFTRPYGLKDM4E
SCHEMBL7834426 0.86 HSD17B10 (0.46) HSD17B10KMT2ACFTRPYGLKDM4E
SCHEMBL7847400 0.86 ALDH1A1 (0.44) HSD17B10KMT2AHDAC1HDAC6CFTR
SCHEMBL7845316 0.84 HSD17B10 (0.44) HSD17B10KMT2ACFTRPYGLKDM4E
SCHEMBL7845731 0.84 HSD17B10 (0.44) HSD17B10KMT2ACFTRPOLBPYGL
SCHEMBL7846819 0.84 HTR2A (0.43) HSD17B10HDAC1HDAC6CFTRKDM4E
SCHEMBL6670162 0.84 HTR2A (0.43) HSD17B10CFTRKDM4EALDH1A1GLA
SCHEMBL7845627 0.82 KDM4E (0.44) HSD17B10KMT2ACFTRPOLBPYGL

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 4 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 claimed
WO-2000040561-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 WO claimed
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