SCHEMBL28095616

SCHEMBL28095616

S=C(c1nc2ccccc2s1)c1nc2ccccc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.62
NPC1 O15118 7/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
MAPT P10636 5/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
LMNA P02545 2/20 0.62
MAPK1 P28482 2/20 0.62
ALDH1A1 P00352 5/20 0.56
TDP1 Q9NUW8 4/20 0.55
L3MBTL1 Q9Y468 4/20 0.55
CYP1A2 P05177 3/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2C9 P11712 1/20 0.55
KCNH2 Q12809 1/20 0.55
THRB P10828 1/20 0.54
RECQL P46063 1/20 0.54
HPGD P15428 4/20 0.53
ALOX15 P16050 2/20 0.53

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
SCHEMBL8031188 0.86 RAB9A (0.65) RAB9ANPC1SMN1; SMN2MAPTMEN1
Ammonia Solution, Strong SCHEMBL10619768 0.84 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL17153866 0.84 RAB9A (0.58) RAB9ANPC1SMN1; SMN2MAPTMEN1
Ammonia Solution, Strong SCHEMBL10619764 0.84 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MAPTMEN1
Zinc Ion SCHEMBL11742498 0.82 RAB9A (0.57) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL7602816 0.81 RAB9A (0.59) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL6319718 0.79 ALDH1A1 (0.66) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL3018317 0.78 DDAH1 (0.53) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL2170056 0.78 ALDH1A1 (0.64) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL31519040 0.78 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MAPTMEN1

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
CN-105934714-A Silver halide conductive element precursor and devices 伊斯曼柯达公司 2016-09-07 CN disclosed