SCHEMBL7977544

SCHEMBL7977544

Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCC(=O)NCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
PKM P14618 1/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
TAAR1 Q96RJ0 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
RECQL P46063 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MPO P05164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL7975405 0.92 MAPT (0.54) LMNAMEN1MAPTKMT2ANPC1
SCHEMBL7977571 0.91 NPC1 (0.53) LMNAKMT2ANPC1RAB9ARECQL
SCHEMBL7975349 0.88 CYP1A2 (0.51) LMNAPKMNPC1RAB9ACYP1A2
SCHEMBL7980389 0.88 NPC1 (0.49) LMNAMAPTKMT2ANPC1RAB9A
SCHEMBL7980306 0.86 NPSR1 (0.49) NPC1RAB9ACYP1A2CYP2D6TSHR
SCHEMBL7974403 0.85 RAB9A (0.47) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL7974413 0.85 SMN1; SMN2 (0.59) LMNANPC1RAB9ACYP1A2CYP2C19
SCHEMBL7977564 0.85 POLB (0.50) LMNAKMT2ANPC1RAB9AMPO
SCHEMBL7980161 0.85 RAB9A (0.50) LMNAMEN1MAPTKMT2ANPC1
SCHEMBL7974288 0.84 KMT2A (0.65) LMNAMEN1MAPTKMT2ANPC1

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-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO claimed
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO disclosed