SCHEMBL9636748

SCHEMBL9636748

CCCC1CC(SC)=Nc2ccccc2S1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
PKM P14618 2/20 0.35
BCHE P06276 9/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 1/20 0.32
ALOX12 P18054 1/20 0.32
ACHE P22303 4/20 0.32
UTS2R Q9UKP6 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RECQL P46063 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
SCHEMBL9635227 0.86 RAB9A (0.33) MAPTRAB9ANPC1PKMBCHE
SCHEMBL9635250 0.78 MEN1 (0.40) MAPTRAB9ANPC1PKMBCHE
SCHEMBL9510681 0.77 NPC1 (0.36) MAPTRAB9ANPC1PKMBCHE
SCHEMBL9635179 0.75 BCHE (0.53) MAPTRAB9ABCHESMN1; SMN2MEN1
SCHEMBL9635262 0.75 MAPT (0.37) MAPTRAB9ANPC1PKMBCHE
SCHEMBL9635260 0.75 MAPT (0.37) MAPTRAB9ANPC1PKMBCHE
SCHEMBL9636646 0.71 MAPT (0.34) MAPTRAB9ANPC1PKMBCHE
SCHEMBL9635282 0.70 RAB9A (0.34) MAPTRAB9ANPC1PKMBCHE
SCHEMBL9635278 0.70 RAB9A (0.34) MAPTRAB9ANPC1PKMBCHE
SCHEMBL9635253 0.68 BCHE (0.45) MAPTRAB9ANPC1PKMBCHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0368063-B1 PROCESS FOR THE CHLORINATION IN THE NUCLEUS OF AROMATIC HYDROCARBONS BAYER AG (DE) 1992-06-10 EP disclosed
US-4990707-A Process for the ring chlorination of aromatic hydrocarbons BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
EP-0368063-A1 Process for the chlorination in the nucleus of aromatic hydrocarbons BAYER AG (DE) 1990-05-16 EP disclosed