SCHEMBL9303523

SCHEMBL9303523

N=C(N)Nc1ccccc1C(=O)Nc1cccc2cc(C(=N)N)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
PLAU P00749 6/20 0.51
HSD17B10 Q99714 1/20 0.51
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.48
EP300 Q09472 1/20 0.48
PRMT1 Q99873 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GAA P10253 2/20 0.48

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
SCHEMBL9303274 0.91 PLAU (0.62) NPC1RAB9APLAUHSD17B10KDM4E
SCHEMBL9303230 0.90 NPC1 (0.52) NPC1RAB9APLAUHSD17B10KDM4E
SCHEMBL9302818 0.84 FGF1 (0.54) NPC1RAB9APLAUCYP1A2CYP3A4
SCHEMBL9303518 0.84 NPC1 (0.49) NPC1RAB9APLAUHSD17B10KDM4E
SCHEMBL9305495 0.82 PLAU (0.54) NPC1RAB9APLAUCYP1A2CYP3A4
SCHEMBL9303522 0.81 PLAU (0.61) PLAUF10KLK1PLGPLAT
SCHEMBL9303229 0.81 PLAU (0.56) NPC1RAB9APLAUMEN1KMT2A
SCHEMBL9303292 0.81 RXFP1 (0.52) NPC1RAB9APLAUKDM4ESMN1; SMN2
SCHEMBL9303020 0.80 NR1H4 (0.53) PLAUF10PTGESKLK1PLG
SCHEMBL9303445 0.79 NPC1 (0.54) NPC1RAB9AKDM4ESMN1; SMN2POLB

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
US-5352704-A Antiviral agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-10-04 US disclosed
EP-0434432-B1 Guanidinobenzene derivatives BANYU PHARMA CO LTD (JP) 1994-05-04 EP disclosed
EP-0434432-A1 Guanidinobenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-06-26 EP disclosed