SCHEMBL10825752

SCHEMBL10825752

c1ccc(Cc2nc(SNC3CCCCC3)cs2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC1 Q13547 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC8 Q9BY41 1/20 0.41
RAB9A P51151 4/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX2 P34913 1/20 0.37
CCR5 P51681 1/20 0.36
CDK5 Q00535 2/20 0.36
CDK5R1 Q15078 2/20 0.36
GAA P10253 1/20 0.36
EPHX1 P07099 1/20 0.35
TAAR1 Q96RJ0 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
SCHEMBL11301450 0.81 ALDH1A1 (0.45) ALDH1A1HPGDTDP1RAB9ANPC1
SCHEMBL28426800 0.80 NPC1 (0.47) ALDH1A1HPGDTDP1HDAC1HDAC6
SCHEMBL28958741 0.75 DRD2 (0.52) ALDH1A1HDAC1HDAC6HDAC8RAB9A
SCHEMBL6440216 0.67 RAB9A (0.60) ALDH1A1HPGDTDP1RAB9ANPC1
SCHEMBL2583325 0.66 HDAC1 (0.51) ALDH1A1HDAC1HDAC6HDAC8RAB9A
SCHEMBL6848047 0.66 ALDH1A1 (0.61) ALDH1A1HDAC1HDAC6HDAC8RAB9A
SCHEMBL11052563 0.66 HDAC1 (0.51) ALDH1A1HDAC1HDAC6HDAC8RAB9A
SCHEMBL5674128 0.65 ALDH1A1 (0.51) ALDH1A1HPGDTDP1RAB9ANPC1
SCHEMBL6024930 0.65 ALDH1A1 (0.49) ALDH1A1HPGDTDP1RAB9ANPC1
SCHEMBL4384695 0.65 EPHX2 (0.49) ALDH1A1HPGDRAB9ANPC1LMNA

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
US-4606952-A MULTILAYER-FLUOROPOLYMER WITH ACRYLONITRILE-BUTADIENE COPOLYMER TOYODA GOSEI CO., LTD. (JP) 1986-08-19 US disclosed