SCHEMBL1968720

SCHEMBL1968720

NC(Cc1nc2ccccc2[nH]1)C(N)(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
KDM4E B2RXH2 1/20 0.52
DDAH1 O94760 1/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP1A2 P05177 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
GAA P10253 1/20 0.46
ALPL P05186 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
ALPI P09923 1/20 0.46
ALPG P10696 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL6575325 0.83 RAB9A (0.48) RAB9AKDM4EDDAH1POLBCYP3A4
SCHEMBL4562346 0.79 DDAH1 (0.59) RAB9AKDM4EDDAH1POLBCYP3A4
SCHEMBL30207649 0.76 DDAH1 (0.61) RAB9AKDM4EDDAH1POLBCYP3A4
SCHEMBL8025715 0.76 DDAH1 (0.61) RAB9AKDM4EDDAH1POLBCYP3A4
SCHEMBL10761755 0.76 DDAH1 (0.61) RAB9ADDAH1POLBCYP2C9CYP1A2
SCHEMBL20677814 0.76 DDAH1 (0.63) RAB9AKDM4EDDAH1POLBCYP3A4
SCHEMBL23301149 0.75 DDAH1 (0.54) RAB9ADDAH1POLBCYP3A4CYP2D6
SCHEMBL825212 0.75 RAB9A (0.57) RAB9AKDM4EDDAH1POLBCYP3A4
SCHEMBL21056183 0.74 GAA (0.54) RAB9ADDAH1POLBCYP3A4CYP2D6
SCHEMBL20237230 0.74 RAB9A (0.56) RAB9AKDM4EDDAH1POLBCYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358309-A1 COMPOSITION AND METHOD FOR BLEACHIN G A SUBSTRATE UNILEVER PLC (GB) 2003-11-05 EP claimed
WO-2002077145-A1 COMPOSITION AND METHOD FOR BLEACHIN G A SUBSTRATE UNILEVER PLC (GB) 2002-10-03 WO claimed
EP-2038356-B8 LIQUID HARDENING UNILEVER PLC (GB) 2011-06-22 EP disclosed
EP-2038356-A1 LIQUID HARDENING Unilever PLC (GB) 2009-03-25 EP disclosed
WO-2008003652-A1 LIQUID HARDENING UNILEVER PLC (GB) 2008-01-10 WO disclosed