SCHEMBL29384271

SCHEMBL29384271

CC(=O)SCCc1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
LOXL2 Q9Y4K0 1/20 0.47
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALPG P10696 2/20 0.46
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HIF1A Q16665 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 1/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL27517299 0.89 ALDH1A1 (0.45) ALDH1A1LOXL2HTTSMN1; SMN2ALPG
SCHEMBL31366315 0.85 ALDH1A1 (0.42) ALDH1A1LOXL2HTTSMN1; SMN2ALPG
SCHEMBL6882189 0.82 ALDH1A1 (0.57) ALDH1A1LOXL2SMN1; SMN2
SCHEMBL8552853 0.80 CYP3A4 (0.52) ALDH1A1LOXL2HTTSMN1; SMN2ALPG
SCHEMBL11365248 0.79 CYP1A2 (0.53) ALDH1A1HTTSMN1; SMN2ALPGALPL
SCHEMBL978161 0.77 TAAR1 (0.47) ALDH1A1CYP3A4CYP2D6HIF1AKMT2A
SCHEMBL7188310 0.77 TAAR1 (0.47) CYP3A4CYP2D6HIF1AMEN1KMT2A
SCHEMBL18392033 0.77 ALDH1A1 (0.54) ALDH1A1HTTSMN1; SMN2ALPGALPL
SCHEMBL7979576 0.75 P2RX7 (0.38) ALDH1A1HTTCYP3A4CYP2D6CYP2C9
SCHEMBL1833158 0.75 CYP1A2 (0.53) ALDH1A1HTTSMN1; SMN2ALPGALPL

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
US-20230298145-A1 MASSIVELY PARALLEL AMPLITUDE-ONLY OPTICAL PROCESSING SYSTEM AND METHODS FOR MACHINE LEARNING THE GEORGE WASHINGTON UNIVERSITY 2023-09-21 US disclosed
WO-2022031982-A1 MASSIVELY PARALLEL AMPLITUDE-ONLY OPTICAL PROCESSING SYSTEM AND METHODS FOR MACHINE LEARNING THE GEORGE WASHINGTON UNIVERSITY (US) 2022-02-10 WO disclosed