SCHEMBL19903945

SCHEMBL19903945

OCCNc1ccc(/C=C/c2ccccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ATM Q13315 1/20 0.48
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
KDR P35968 2/20 0.40
NTRK1 P04629 4/20 0.38
NTRK3 Q16288 4/20 0.38
NTRK2 Q16620 4/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38

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
SCHEMBL2604939 0.82 NFE2L2 (0.47) RAB9AKMT2AALDH1A1MAPT
SCHEMBL29419010 0.78 KMT2A (0.80) NPC1RAB9AMEN1KMT2AATM
SCHEMBL28595722 0.78 KMT2A (0.80) NPC1RAB9AMEN1KMT2AATM
SCHEMBL24225972 0.76 RAB9A (0.48) NPC1RAB9AMEN1KMT2AATM
SCHEMBL15096132 0.76 RAB9A (0.57) NPC1RAB9AMEN1KMT2AATM
SCHEMBL3629451 0.76 MEN1 (0.57) NPC1RAB9AMEN1KMT2AATM
SCHEMBL1968028 0.76 MEN1 (0.57) NPC1RAB9AMEN1KMT2AATM
SCHEMBL14385683 0.76 NPC1 (0.57) NPC1RAB9AMEN1KMT2AATM
Hydrochloric Acid SCHEMBL591897 0.74 NPC1 (0.55) NPC1RAB9AMEN1KMT2AATM
Hydrochloric Acid SCHEMBL5470036 0.74 NPC1 (0.55) NPC1RAB9AMEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2852374-B1 PROCESS FOR DYEING KERATIN FIBRES COMPRISING A DYE/PIGMENT, A PHOTOACTIVE COMPOUND AND A LIGHT SOURCE OREAL (FR) 2019-08-21 EP disclosed
EP-2651374-B1 PROCESS FOR DYEING KERATIN FIBRES USING A DIRECT DYE BEARING A DISULFIDE/THIOL/PROTECTED THIOL FUNCTION AND WATER VAPOUR L'ORÉAL (FR) 2018-02-28 EP disclosed