SCHEMBL2853786

SCHEMBL2853786

Cc1ccc(C(=O)C#CC(=O)NC2CCN(c3nc(C(C)(C)C)cs3)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
KCNH2 Q12809 1/20 0.38
BTK Q06187 4/20 0.36
PDE10A Q9Y233 2/20 0.35
PAK1 Q13153 1/20 0.35
HTT P42858 2/20 0.35
ACKR3 P25106 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2854222 0.91 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ABTKPAK1
SCHEMBL2858190 0.90 MEN1 (0.38) LMNASMN1; SMN2NPC1RAB9ACTSB
SCHEMBL972936 0.88 LMNA (0.39) LMNASMN1; SMN2NPC1RAB9ACTSB
SCHEMBL2854730 0.86 CTSB (0.37) LMNASMN1; SMN2NPC1RAB9ACTSB
SCHEMBL2863170 0.83 PPARG (0.36) LMNASMN1; SMN2NPC1RAB9ACTSB
SCHEMBL974388 0.82 DRD2 (0.43) LMNASMN1; SMN2NPC1RAB9ACTSB
SCHEMBL974369 0.82 CCR4 (0.36) LMNASMN1; SMN2NPC1RAB9ACTSB
SCHEMBL23387302 0.81 LMNA (0.48) LMNASMN1; SMN2NPC1RAB9ACTSB
SCHEMBL23387304 0.81 LMNA (0.48) LMNASMN1; SMN2NPC1RAB9ACTSB
SCHEMBL973611 0.81 LMNA (0.37) LMNASMN1; SMN2NPC1RAB9ACTSB

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
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP claimed