SCHEMBL14958762

SCHEMBL14958762

O=Nc1cnc(N2CCN(c3ccncc3)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.47
MAPT P10636 6/20 0.46
LMNA P02545 1/20 0.46
ADRB2 P07550 1/20 0.43
NCF1 P14598 1/20 0.43
PLD1 Q13393 1/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TSHR P16473 3/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL13063106 0.81 CHKA (0.55) CHKAMAPTADRB2NCF1PLD1
SCHEMBL3440171 0.78 CHKA (0.52) CHKAMAPTLMNAADRB2NCF1
SCHEMBL12812533 0.78 CHKA (0.52) CHKAMAPTLMNAADRB2NCF1
SCHEMBL11364607 0.78 CHKA (0.52) CHKAMAPTLMNAADRB2NCF1
SCHEMBL31132121 0.76 MAPT (0.42) MAPTLMNARAB9ANPC1KMT2A
SCHEMBL3440200 0.75 POLB (0.53) CHKAMAPTLMNAKMT2AALDH1A1
SCHEMBL28112415 0.74 CHKA (0.80) CHKAMAPTLMNAADRB2NCF1
SCHEMBL14376531 0.69 CHKA (0.44) CHKAMAPTLMNAADRB2NCF1
SCHEMBL15372682 0.67 CHKA (0.55) CHKAMAPTADRB2NCF1PLD1
SCHEMBL18590696 0.67 CHKA (0.67) CHKAMAPTLMNAADRB2NCF1

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-2402329-B1 Analgetic phenylsulphonamides BOEHRINGER INGELHEIM INT (DE) 2013-05-22 EP disclosed