SCHEMBL7319232

SCHEMBL7319232

ClCCCOc1ccc(-c2cnc3sc4ccccc4n23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.45
NPC1 O15118 5/20 0.45
TP53 P04637 4/20 0.45
TSHR P16473 3/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 2/20 0.45
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
HPGD P15428 2/20 0.39
APEX1 P27695 1/20 0.38
GAA P10253 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
SCHEMBL20876001 0.80 RAB9A (0.56) RAB9ANPC1TP53TSHRMAPT
SCHEMBL7319228 0.79 RAB9A (0.39) RAB9ANPC1TP53TSHRMAPT
SCHEMBL7312312 0.71 FYN (0.43) RAB9ANPC1SMN1; SMN2CYP3A4CYP2D6
SCHEMBL9056407 0.65 LSS (0.61) RAB9ANPC1ALDH1A1MAPK1HDAC1
SCHEMBL7317298 0.65 BACE1 (0.57) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL20893212 0.65 RAB9A (0.55) RAB9ANPC1TP53TSHRMAPT
SCHEMBL11096825 0.65 CYP3A4 (0.52) RAB9ANPC1SMN1; SMN2CYP3A4CYP2D6
SCHEMBL11093336 0.62 KCNA3 (0.52) SMN1; SMN2L3MBTL1CYP2D6GAAALDH1A1
SCHEMBL23246063 0.62 HPGD (0.62) RAB9ANPC1TSHRHTTMEN1
SCHEMBL29712390 0.62 HPGD (0.62) RAB9ANPC1TSHRHTTMEN1

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
US-4880824-A CARDIOVASCULAR DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1989-11-14 US disclosed