SCHEMBL12464228

SCHEMBL12464228

CCC(=O)N(c1cc(-c2ccccc2)sc1C(=O)O)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ IKBKB O14920 1/20 0.43
▸ PTPRF P10586 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL12464230 0.92 KDM4E (0.44) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL12464388 0.88 KDM4E (0.38) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL27592383 0.86 ALDH1A1 (0.43) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL12372020 0.83 KDM4E (0.40) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL14048991 0.83 TRPM8 (0.46) MAPTMEN1KMT2AIKBKBPTPRF
SCHEMBL2158610 0.81 KDM4E (0.40) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL2249001 0.81 KDM4E (0.47) MAPTMEN1KMT2AKDM4EIKBKB
SCHEMBL2157591 0.80 KDM4E (0.42) MAPTKDM4EPTPRFPTPN1LMNA
SCHEMBL12464523 0.79 HSD17B1 (0.44) MAPTMEN1KMT2AKDM4ENPC1
SCHEMBL3812838 0.79 KDM4E (0.39) MAPTMEN1KMT2AKDM4ENPC1

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-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 — — US disclosed
Send feedback