SCHEMBL9635247

SCHEMBL9635247

CS/C1=N/c2ccccc2SC(c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.45
ACHE P22303 4/20 0.42
MAPT P10636 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL9635253 1.00 BCHE (0.45) BCHEACHEMAPTMEN1KMT2A
SCHEMBL9635179 0.85 BCHE (0.53) BCHEACHEMAPTMEN1KMT2A
SCHEMBL9635278 0.82 RAB9A (0.34) BCHEACHEMAPTMEN1KMT2A
SCHEMBL9635282 0.82 RAB9A (0.34) BCHEACHEMAPTMEN1KMT2A
SCHEMBL9635250 0.73 MEN1 (0.40) BCHEACHEMAPTMEN1KMT2A
SCHEMBL9512603 0.72 HPGD (0.34) MEN1KMT2AALDH1A1GAA
SCHEMBL9635262 0.71 MAPT (0.37) BCHEACHEMAPTMEN1KMT2A
SCHEMBL9635260 0.71 MAPT (0.37) BCHEACHEMAPTMEN1KMT2A
SCHEMBL9636555 0.70 HPGD (0.37)
SCHEMBL9635214 0.70 BCHE (0.40) BCHEACHEMAPTMEN1KMT2A

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-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