SCHEMBL10488159

SCHEMBL10488159

CCCCS(=O)(=O)Nc1ccc(C#CCCOCCCCCCBr)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.45
HPGD P15428 4/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
THRA P10827 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
NAMPT P43490 1/20 0.36
MMP2 P08253 1/20 0.36
MMP12 P39900 1/20 0.36
AURKA O14965 1/20 0.35
KDR P35968 1/20 0.35
AURKB Q96GD4 1/20 0.35
ADRB2 P07550 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
SCHEMBL10717493 0.92 AR (0.44) ARHPGDLMNANPC1RAB9A
SCHEMBL10463959 0.82 HPGD (0.50) ARHPGDLMNANPC1RAB9A
SCHEMBL10477931 0.82 HPGD (0.50) ARHPGDLMNANPC1RAB9A
SCHEMBL9763021 0.81 AR (0.51) ARHPGDLMNAADRB2ADRB1
SCHEMBL10488134 0.74 TSHR (0.46) LMNANPC1RAB9ASMN1; SMN2MMP2
SCHEMBL10488165 0.74 CYP3A4 (0.36) MMP2MMP12
SCHEMBL10464556 0.73 PTPN2 (0.40) LMNAMEN1HTTKMT2A
SCHEMBL5385220 0.73 NPC1 (0.70) ARHPGDLMNANPC1RAB9A
SCHEMBL9763616 0.72 HRH3 (0.39) HPGDLMNANPC1RAB9ASMN1; SMN2
SCHEMBL5441017 0.72 PTPN2 (0.47) ALDH1A1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4853382-A TREATING ASTHMA AND BRONCHITIS GLAXO GROUP LIMITED (GB) 1989-08-01 US disclosed
EP-0178919-B1 AMINOPHENOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1988-12-21 EP disclosed
US-4730008-A STIMULANT FOR BETA-ADRENORECEPTORS GLAXO GROUP LIMITED (GB) 1988-03-08 US disclosed
EP-0178919-A2 Aminophenol derivatives GLAXO GROUP LIMITED (GB) 1986-04-23 EP disclosed