SCHEMBL7702404

SCHEMBL7702404

[CH2]NC(=O)CCc1cccc(S)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
GAA P10253 3/20 0.45
HDAC6 Q9UBN7 2/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC1 Q13547 3/20 0.41
HTT P42858 1/20 0.41
PTPN1 P18031 1/20 0.40
ALDH1A1 P00352 2/20 0.40
P2RX7 Q99572 2/20 0.38
RAB9A P51151 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL7702409 0.83 FFAR1 (0.46) MAPTGAAHDAC6HDAC2HDAC8
SCHEMBL3360788 0.79 KEAP1 (0.61) HDAC6HDAC2HDAC8HDAC1
SCHEMBL622181 0.78 HDAC2 (0.68) MAPTGAAHDAC6HDAC2HDAC8
SCHEMBL5748661 0.77 SIRT2 (0.51) MAPTHDAC6HDAC1HTTPTPN1
SCHEMBL16623155 0.73 ERCC1 (0.60) GAAHDAC2HDAC8PTPN1ALDH1A1
SCHEMBL10575824 0.72 SMN1; SMN2 (0.63) MAPTHDAC6HDAC2HDAC8HDAC1
SCHEMBL8005008 0.70 TDP1 (0.52) MAPTGAAALDH1A1
SCHEMBL28752888 0.70 MEN1 (0.35)
SCHEMBL9579600 0.70 CYP1A2 (0.61) MAPT
SCHEMBL22276673 0.70 TDP1 (0.56) HTTALDH1A1

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
EP-1183251-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2002-03-06 EP disclosed
WO-2000075130-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA, S.A. (ES) 2000-12-14 WO disclosed