SCHEMBL5318296

SCHEMBL5318296

Cc1ccccc1-c1ccnnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
IDO1 P14902 1/20 0.40
METAP2 P50579 1/20 0.40
LCK P06239 1/20 0.39
KDR P35968 1/20 0.39
JAK3 P52333 1/20 0.39
MAPK14 Q16539 1/20 0.39
WNT3A P56704 3/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
NISCH Q9Y2I1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL18378750 0.84 TRPA1 (0.39) TRPA1NPC1RAB9AWNT3AALDH1A1
SCHEMBL21411854 0.77 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL17666285 0.76 WNT3A (0.46) NPC1RAB9ASMN1; SMN2WNT3AALDH1A1
SCHEMBL1903369 0.76 NOTUM (0.50) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL3752648 0.75 KDM4E (0.61) NPC1RAB9ASMN1; SMN2HPGDTSHR
Hydrochloric Acid SCHEMBL30549494 0.75 ALDH1A1 (0.52) RAB9ASMN1; SMN2CASP3SENP8SENP7
SCHEMBL27646280 0.75 CYP2A6 (0.52) TRPA1NPC1RAB9ASMN1; SMN2IDO1
SCHEMBL27821400 0.75 HDAC4 (0.44) TRPA1NPC1RAB9AIDO1MAPK14
SCHEMBL26874447 0.75 TRPA1 (0.45) TRPA1HPGDTSHRCA12CA1
Hydrochloric Acid SCHEMBL29948123 0.74 NOTUM (0.48) NPC1RAB9ASMN1; SMN2CASP3SENP8

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-3727599-B1 COMPOSITION FOR DYEING KERATIN FIBERS CONTAINING A COMBINATION OF A P-PHENYLENE DERIVATIVE AND 2,7-NAPHTHALENEDIOL AND USE THEREOF FOR REDUCING A YELLOW TINGE IN A HAIRSTYLE LABORATOIRE BIOSTHETIQUE KOSMETIK GMBH&CO KG (DE) 2023-03-22 EP claimed
EP-3727599-B1 COMPOSITION FOR DYEING KERATIN FIBERS CONTAINING A COMBINATION OF A P-PHENYLENE DERIVATIVE AND 2,7-NAPHTHALENEDIOL AND USE THEREOF FOR REDUCING A YELLOW TINGE IN A HAIRSTYLE LABORATOIRE BIOSTHETIQUE KOSMETIK GMBH&CO KG (DE) 2023-03-22 EP disclosed
EP-1406577-B1 NOVEL COUPLER COMPONENTS FOR OXIDATIVE HAIR COLOURING HENKEL KGAA (DE) 2007-10-10 EP disclosed
EP-1406577-A1 NOVEL COUPLER COMPONENTS FOR OXIDATIVE HAIR COLOURING Henkel Kommanditgesellschaft auf Aktien (DE) 2004-04-14 EP disclosed
WO-2002100364-A1 NOVEL COUPLER COMPONENTS FOR OXIDATIVE HAIR COLOURING HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-12-19 WO disclosed