SCHEMBL6570713

SCHEMBL6570713

COCCNc1ccc(N)cc1-c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.47
ALDH1A1 P00352 6/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
NCF1 P14598 2/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.39
HDAC6 Q9UBN7 1/20 0.36
QPCT Q16769 1/20 0.35
NQO2 P16083 1/20 0.35
HCAR3 P49019 1/20 0.35
KCNN4 O15554 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL6572005 0.93 PTGER4 (0.50) PTGER4ALDH1A1RAB9AKDM4ENPC1
SCHEMBL6572884 0.87 PTGER4 (0.46) PTGER4ALDH1A1RAB9AKDM4ENPC1
SCHEMBL6573105 0.87 PTGER4 (0.49) PTGER4ALDH1A1RAB9AKDM4EPOLB
SCHEMBL6572731 0.87 PTGER4 (0.46) PTGER4ALDH1A1RAB9AKDM4EHPGD
SCHEMBL6572960 0.87 PTGER4 (0.51) PTGER4ALDH1A1KDM4ENCF1MAPT
SCHEMBL6572456 0.87 PTGER4 (0.50) PTGER4ALDH1A1RAB9AKDM4EPOLB
Hydrochloric Acid SCHEMBL6572054 0.86 PTGER4 (0.50) PTGER4ALDH1A1KDM4ENCF1MAPT
SCHEMBL6571145 0.85 ALDH1A1 (0.46) PTGER4ALDH1A1RAB9AKDM4ENPC1
SCHEMBL6570689 0.84 PTGER4 (0.48) PTGER4ALDH1A1KDM4ELMNANCF1
SCHEMBL6573705 0.84 PTGER4 (0.43) PTGER4ALDH1A1KDM4EHTTNCF1

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-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed