SCHEMBL8946381

SCHEMBL8946381

NC(=O)N(c1ccccc1)c1ccncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 1/20 0.38
P2RX7 Q99572 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HTT P42858 2/20 0.36
POLB P06746 1/20 0.36
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
PKM P14618 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
SCHEMBL3718482 0.87 NPSR1 (0.44) NPSR1ALDH1A1KMT2AKDM4EP2RX7
SCHEMBL28268679 0.84 ALDH1A1 (0.56) NPSR1ALDH1A1KMT2AKDM4EP2RX7
SCHEMBL3475461 0.81 NPSR1 (0.47) NPSR1ALDH1A1KMT2AKDM4ENPC1
SCHEMBL4474250 0.81 TBXAS1 (0.38) NPSR1ALDH1A1KMT2AP2RX7NPC1
SCHEMBL27616306 0.80 NPSR1 (0.38) NPSR1ALDH1A1KMT2AKDM4ENPC1
SCHEMBL16964280 0.80 KMT2A (0.41) NPSR1KMT2AKDM4EP2RX7HTT
SCHEMBL5474563 0.79 NPSR1 (0.50) NPSR1ALDH1A1KMT2AKDM4ENPC1
SCHEMBL2538190 0.78 NPSR1 (0.45) NPSR1ALDH1A1KMT2AKDM4ENPC1
SCHEMBL4592999 0.77 P2RX7 (0.40) NPSR1ALDH1A1KMT2AKDM4EP2RX7
SCHEMBL11963737 0.77 KMT2A (0.37) NPSR1ALDH1A1KMT2AKDM4EP2RX7

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-4192582-A1 KINASE INHIBITORS AND USES THEREOF ABM Therapeutics Corporation (US) 2023-06-14 EP disclosed
US-5500424-A ENZYME INHIBITORS NIHON NOHYAKU CO., LTD. (JP) 1996-03-19 US disclosed
EP-0638557-A1 N-phenylpyri(mi)dine-N'-phenyl-urea derivatives, their preparation and their use as ACAT inhibitors NIHON NOHYAKU CO., LTD. (JP) 1995-02-15 EP disclosed