SCHEMBL3454100

SCHEMBL3454100

Cc1nc(I)sc1C(=O)NCCOc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.57
NPC1 O15118 7/20 0.57
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 3/20 0.53
RECQL P46063 1/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
CNR1 P21554 1/20 0.49
POLB P06746 2/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
ALDH1A1 P00352 3/20 0.48
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 2/20 0.46
BRD4 O60885 1/20 0.46

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
SCHEMBL3454071 0.88 RAB9A (0.47) RAB9ANPC1SMN1; SMN2MTNR1AMTNR1B
SCHEMBL3454603 0.79 RAB9A (0.51) RAB9ANPC1SMN1; SMN2HPGDRECQL
SCHEMBL3051532 0.78 SCD (0.64) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL3447843 0.77 RAB9A (0.48) RAB9ANPC1SMN1; SMN2HPGDRECQL
SCHEMBL13541845 0.72 PPARA (0.60) SMN1; SMN2HPGDPOLBALDH1A1L3MBTL1
SCHEMBL3446802 0.72 MTNR1A (0.73) RAB9ANPC1SMN1; SMN2HPGDRECQL
SCHEMBL3454417 0.72 SCD (0.59) RAB9ANPC1SMN1; SMN2HPGDPOLB
SCHEMBL15646615 0.71 NPC1 (0.70) RAB9ANPC1SMN1; SMN2HPGDRECQL
SCHEMBL11424416 0.71 NPC1 (0.93) RAB9ANPC1SMN1; SMN2HPGDRECQL
SCHEMBL1578277 0.71 NPC1 (1.00) RAB9ANPC1SMN1; SMN2HPGDRECQL

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
WO-2010007482-A2 THIAZOLE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2010-01-21 WO disclosed