SCHEMBL2484074

SCHEMBL2484074

CN(Cc1cccnc1)C(=O)CCCSc1ccc(O)cc1.O=C(CCCSc1ccc(O)cc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
RIPK1 Q13546 1/20 0.43
NAMPT P43490 1/20 0.42
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
RECQL P46063 1/20 0.39

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
SCHEMBL418243 0.93 RIPK1 (0.49) LMNANPC1RAB9APKMKMT2A
SCHEMBL2485786 0.91 ALDH1A1 (0.45) LMNANPC1RAB9APKMKMT2A
SCHEMBL418467 0.86 NPC1 (0.59) NPC1RAB9AKMT2ASMN1; SMN2RIPK1
SCHEMBL2485825 0.85 LMNA (0.47) LMNANPC1RAB9APKMKMT2A
SCHEMBL418472 0.84 ALDH1A1 (0.50) LMNANPC1RAB9AKMT2AALDH1A1
SCHEMBL2482403 0.82 PDK1 (0.46) LMNAKMT2ASMN1; SMN2HTTMAPT
SCHEMBL2487605 0.82 PDK1 (0.42) LMNANPC1RAB9APKMKMT2A
SCHEMBL416236 0.82 CLK1 (0.49) LMNAPKMKMT2ASMN1; SMN2HTT
SCHEMBL417568 0.82 RIPK1 (0.46) LMNANPC1RAB9APKMKMT2A
SCHEMBL10247697 0.79 NPC1 (0.66) NPC1RAB9AKMT2ASMN1; SMN2RIPK1

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
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP claimed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO claimed