SCHEMBL7701502

SCHEMBL7701502

O=C(NCC1Cc2c(sc(NC3CCCCO3)c2C(=O)O)CN1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
RAB7A P51149 3/20 0.40
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
ESR2 Q92731 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 2/20 0.38
ATM Q13315 1/20 0.37
TNF P01375 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
ADRB1 P08588 1/20 0.35
GLA P06280 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
SCHEMBL7582515 0.94 HPGD (0.37) HPGDRAB7ARAB9ASMN1; SMN2MAPT
SCHEMBL7575384 0.92 POLB (0.36) HPGDRAB7ARAB9ASMN1; SMN2MAPT
SCHEMBL7699460 0.87 NPC1 (0.48) HPGDRAB9ASMN1; SMN2MAPTPOLB
SCHEMBL7698367 0.86 KDM4E (0.50) HPGDRAB9AMAPTKMT2AALDH1A1
SCHEMBL7699527 0.86 KDM4E (0.50) HPGDRAB9AMAPTKMT2AALDH1A1
SCHEMBL7700382 0.86 ALDH1A1 (0.37) HPGDRAB9AMAPTALDH1A1NPC1
SCHEMBL7580060 0.84 HDAC1 (0.38) HPGDMAPTPOLBLMNAMEN1
SCHEMBL7564276 0.81 CYP1A2 (0.39) HPGDRAB7ALMNAMEN1KMT2A
SCHEMBL7519532 0.81 PTPN1 (0.47) HPGDRAB7ARAB9ASMN1; SMN2MAPT
SCHEMBL5844070 0.79 HPGD (0.39) HPGDRAB9ASMN1; SMN2POLBTDP1

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
WO-2002004458-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-01-17 WO disclosed