SCHEMBL627134

SCHEMBL627134

O=C(Nc1nc2ccc(F)cc2s1)C(NC1CCCC1)c1ccc(S(=O)(=O)C2CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 2/20 0.46
CLK1 P49759 2/20 0.46
PDPK1 O15530 1/20 0.45
DYRK1A Q13627 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LRRK2 Q5S007 1/20 0.45
GCK P35557 5/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
LMNA P02545 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PAX8 Q06710 1/20 0.43

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
SCHEMBL18189398 0.74 PDE4B (0.44) NPC1RAB9ACLK1ALDH1A1KDM4E
SCHEMBL626280 0.73 GCK (0.60) GCK
SCHEMBL628093 0.71 ALDH1A1 (0.59) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL2024597 0.71 TP53 (0.49) ACP1NPC1RAB9ACYP1A2CYP2C9
SCHEMBL2024598 0.71 TP53 (0.49) ACP1NPC1RAB9ACYP1A2CYP2C9
SCHEMBL627708 0.71 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL2100902 0.71 GCK (0.53) CLK1GCK
SCHEMBL185229 0.69 GCK (0.66) GCK
SCHEMBL19699473 0.68 DYRK1A (0.72) ACP1NPC1RAB9ASMN1; SMN2PDPK1
SCHEMBL184548 0.68 GCK (0.63) GCK

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
WO-2012020357-A1 ACETAMIDE COMPOUNDS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS LTD. (IN) 2012-02-16 WO claimed
WO-2012020357-A1 ACETAMIDE COMPOUNDS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS LTD. (IN) 2012-02-16 WO disclosed