SCHEMBL22334841

SCHEMBL22334841

N=C(N)N1CCCN(c2nc(-c3ccccc3)cs2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
HSD17B10 Q99714 2/20 0.65
TP53 P04637 2/20 0.65
ALOX15 P16050 1/20 0.65
RAB9A P51151 6/20 0.59
NPC1 O15118 4/20 0.59
ALDH1A1 P00352 4/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 3/20 0.56
MAPK1 P28482 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 4/20 0.54
HTT P42858 2/20 0.54
ATM Q13315 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL18674661 0.95 RAB9A (0.64) ARSMN1; SMN2HSD17B10TP53ALOX15
SCHEMBL11064658 0.82 RAB9A (0.71) ARSMN1; SMN2HSD17B10TP53ALOX15
SCHEMBL18674671 0.81 AR (0.97) ARSMN1; SMN2HSD17B10TP53ALOX15
SCHEMBL18674670 0.81 AR (0.84) ARSMN1; SMN2HSD17B10TP53ALOX15
SCHEMBL3004754 0.80 SMN1; SMN2 (1.00) ARSMN1; SMN2HSD17B10TP53ALOX15
SCHEMBL17266249 0.80 SMN1; SMN2 (1.00) ARSMN1; SMN2HSD17B10TP53ALOX15
SCHEMBL3761593 0.79 RAB9A (0.74) ARSMN1; SMN2HSD17B10TP53ALOX15
SCHEMBL17266248 0.78 RAB9A (0.65) ARSMN1; SMN2HSD17B10TP53ALOX15
SCHEMBL18674602 0.77 RAB9A (0.75) ARSMN1; SMN2HSD17B10TP53ALOX15
SCHEMBL3081074 0.76 CNR2 (0.69) ARSMN1; SMN2HSD17B10TP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3142638-B1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER OREAL (FR) 2020-08-12 EP disclosed