SCHEMBL6111174

SCHEMBL6111174

Sc1nnc(CCc2ccccc2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
DAO P14920 2/20 0.47
PDE10A Q9Y233 1/20 0.47
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNH2 Q12809 1/20 0.41
RNASEH1 O60930 1/20 0.41
MMP2 P08253 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 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
SCHEMBL5635135 0.82 GAA (0.47) RAB9ANPC1DAOMAPTRNASEH1
SCHEMBL17321269 0.76 RAB9A (0.49) RAB9ANPC1DAOPDE10AALDH1A1
SCHEMBL15964630 0.72 RNASEH1 (0.51) RAB9ANPC1DAOPDE10ASMN1; SMN2
SCHEMBL10563288 0.71 TAAR1 (0.50) RAB9ANPC1DAOPDE10AKCNH2
SCHEMBL9741303 0.69 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2KCNH2TAAR1MAOA
Benzene SCHEMBL3440179 0.69 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2KCNH2TAAR1MAOA
SCHEMBL62125 0.69 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2KCNH2TAAR1MAOA
SCHEMBL4715479 0.68 DAO (0.47) RAB9ANPC1DAOPDE10AALDH1A1
SCHEMBL3679069 0.68 TAAR1 (0.47) RAB9ANPC1DAOPDE10AALDH1A1
SCHEMBL25402413 0.67 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2KCNH2TAAR1MAOA

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
WO-2006103119-A2 TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND ALSO IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-10-05 WO claimed
WO-2006103119-A2 TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND ALSO IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-10-05 WO disclosed