SCHEMBL19301723

SCHEMBL19301723

Cc1nc(-c2ccccc2)n(CC2CC2)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC1 P33527 1/20 0.43
▸ KDM4E B2RXH2 9/20 0.42
▸ HSD17B10 Q99714 9/20 0.42
▸ ALDH1A1 P00352 7/20 0.42
▸ HPGD P15428 6/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ PTGER4 P35408 4/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ BRD4 O60885 2/20 0.39
▸ NOTUM Q6P988 1/20 0.39
▸ BAZ2A Q9UIF9 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL19301735 0.82 PDE6D (0.41) ABCC1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL19284370 0.81 CYP1A2 (0.48) ABCC1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL19301744 0.76 MAPK1 (0.47) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL18152765 0.75 KDM4E (0.59) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL19301627 0.74 KDM4E (0.43) ABCC1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL18152809 0.72 TSHR (0.65) KDM4EHSD17B10ALDH1A1HPGDTSHR
SCHEMBL19301724 0.71 PDE10A (0.43) ABCC1KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL19301734 0.71 KDM4E (0.40) ABCC1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL19301779 0.70 NOTUM (0.41) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL19301633 0.70 TDP1 (0.46) KDM4EHSD17B10ALDH1A1MAPTMEN1

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
WO-2017147102-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2017-08-31 — — WO disclosed
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