SCHEMBL5322964

SCHEMBL5322964

O=C(CNCCc1cccs1)Oc1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.48
NPC1 O15118 4/20 0.48
LMNA P02545 1/20 0.48
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
MC4R P32245 3/20 0.43
ADAM17 P78536 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ADAM10 O14672 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
BRD4 O60885 1/20 0.40
IL1B P01584 1/20 0.40
P2RX7 Q99572 1/20 0.40

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
Hydrochloric Acid SCHEMBL5319463 0.99 RAB9A (0.47) RAB9ANPC1LMNAATMTDP1
SCHEMBL9542765 0.78 NPC1 (0.51) RAB9ANPC1LMNATAAR1ADAM17
Hydrochloric Acid SCHEMBL28863287 0.77 NPC1 (0.50) RAB9ANPC1LMNATAAR1ADAM17
SCHEMBL17949098 0.75 ALDH1A1 (0.53) RAB9ANPC1SMN1; SMN2HPGDCYP2D6
SCHEMBL30016228 0.73 NPC1 (0.55) RAB9ANPC1LMNATDP1TAAR1
SCHEMBL12832038 0.72 NPC1 (0.54) RAB9ANPC1LMNATAAR1ADAM17
SCHEMBL9095590 0.71 MC4R (0.55) RAB9ANPC1LMNATAAR1MC4R
SCHEMBL6830667 0.70 MEN1 (0.45) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL8113098 0.70 RAB9A (0.45) RAB9ANPC1LMNAATMTDP1
SCHEMBL12189692 0.70 RAB9A (0.43) RAB9ANPC1LMNATAAR1ADAM17

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-2007094006-A1 PROCESS FOR PREPARATION OF CLOPIDOGREL BISULFATE FORM 1 LEE PHARMA LIMITED (IN) 2007-08-23 WO disclosed