SCHEMBL9629617

SCHEMBL9629617

c1ccc2c(c1)NCCC1CCCCC1S2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
SIGMAR1 Q99720 2/20 0.36
IDO1 P14902 1/20 0.36
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
TSHR P16473 2/20 0.33
NOS2 P35228 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.31
PRCP P42785 1/20 0.30
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL9629700 0.74 BRD4 (0.57) MEN1KMT2AALDH1A1GAABRD4
SCHEMBL9630822 0.74 TSHR (0.38) MEN1KMT2AALDH1A1GAAIDO1
SCHEMBL19470001 0.73 MEN1 (0.51) MEN1KMT2AALDH1A1GAAIDO1
SCHEMBL27303967 0.73 MEN1 (0.47) MEN1KMT2AALDH1A1GAAIDO1
SCHEMBL21311779 0.71 IDO1 (0.47) MEN1KMT2AALDH1A1GAAIDO1
SCHEMBL11842020 0.71 ALDH1A1 (0.53) MEN1KMT2AALDH1A1GAASIGMAR1
SCHEMBL30468213 0.69 IDO1 (0.48) MEN1KMT2AALDH1A1GAAIDO1
SCHEMBL29051604 0.69 IDO1 (0.48) MEN1KMT2AALDH1A1GAAIDO1
SCHEMBL14159608 0.69 SIGMAR1 (0.42) SIGMAR1PRCPMAPK1
SCHEMBL30468219 0.68 IDO1 (0.47) MEN1KMT2AALDH1A1GAAIDO1

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-0340581-B1 PROCESS FOR THE CHLORINATION IN THE NUCLEUS OF AROMATIC HYDROCARBONS BAYER AG (DE) 1992-03-18 EP disclosed
US-4925994-A Process for the ring chlorination of aromatic hydrocarbons BAYER AKTIENGESELLSCHAFT (DE) 1990-05-15 US disclosed