SCHEMBL11403201

SCHEMBL11403201

COCCN(Cc1ccccc1)c1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 2/20 0.47
JAK2 O60674 1/20 0.47
HTT P42858 1/20 0.47
PAX8 Q06710 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
TSHR P16473 1/20 0.44
NR3C1 P04150 2/20 0.42
CETP P11597 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TSPO P30536 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
SCHEMBL31601922 0.86 CRHR1 (0.41) RAB9ANPC1ALDH1A1HTTPAX8
SCHEMBL9762449 0.86 CRHR1 (0.41) RAB9ANPC1ALDH1A1HTTPAX8
SCHEMBL3979580 0.84 CYP2C19 (0.63) RAB9ANPC1ALDH1A1JAK2HTT
SCHEMBL27860941 0.84 MTNR1A (0.64) MTNR1AMTNR1BCRHBPCRHR2TSHR
SCHEMBL11691631 0.83 TSHR (0.51) RAB9ANPC1ALDH1A1JAK2HTT
SCHEMBL11636036 0.82 RAB9A (0.56) RAB9ANPC1ALDH1A1JAK2HTT
SCHEMBL10658928 0.82 RAB9A (0.52) RAB9ANPC1ALDH1A1JAK2HTT
SCHEMBL4165355 0.82 RAB9A (0.52) RAB9ANPC1ALDH1A1JAK2HTT
SCHEMBL10975450 0.81 GFER (0.47) ALDH1A1CYP2C19KMT2AMEN1TSHR
SCHEMBL11012064 0.81 NR1H2 (0.54) RAB9ANPC1ALDH1A1JAK2HTT

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
US-4217102-A Polyamides dyed with rubine disazo acid dyes and process therefore Toms River Chemical Company (US) 1980-08-12 US disclosed
US-4173565-A Rubine disazo acid dyes for polyamides TOMS RIVER CHEMICAL CORPORATION (US) 1979-11-06 US disclosed