SCHEMBL15310036

SCHEMBL15310036

Cc1cccc(C(Cc2cccnc2)NC2=NCCS2)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
TAAR1 Q96RJ0 1/20 0.38
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
P2RX7 Q99572 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SCN8A Q9UQD0 1/20 0.33
PKM P14618 1/20 0.33
NPY1R P25929 1/20 0.33

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
SCHEMBL3415431 0.88 LMNA (0.47) LMNATAAR1RAB9ANPC1SMN1; SMN2
SCHEMBL229249 0.84 RAB9A (0.40) LMNATAAR1RAB9ANPC1SMN1; SMN2
SCHEMBL14000958 0.83 ATM (0.41) LMNATAAR1SMN1; SMN2CYP3A4CYP2D6
SCHEMBL1107826 0.82 ALDH1A1 (0.40) LMNATAAR1RAB9ANPC1SMN1; SMN2
SCHEMBL6727852 0.80 HSD17B10 (0.50) LMNATAAR1SMN1; SMN2CYP3A4CYP2D6
SCHEMBL10025870 0.79 TAAR1 (0.37) LMNATAAR1CYP3A4CYP2D6TSHR
SCHEMBL1550836 0.77 LMNA (0.41) LMNATAAR1RAB9ANPC1SMN1; SMN2
SCHEMBL14000955 0.75 LMNA (0.39) LMNATAAR1RAB9ANPC1SMN1; SMN2
SCHEMBL12264064 0.73 KDM4E (0.36) LMNATAAR1RAB9ANPC1SMN1; SMN2
SCHEMBL1107835 0.73 RAB9A (0.46) LMNATAAR1RAB9ANPC1SMN1; SMN2

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-2240468-B1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN INC (US) 2013-10-16 EP disclosed