SCHEMBL9628930

SCHEMBL9628930

O=C1CCC[S+]([O-])c2ccccc2N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
NPC1 O15118 1/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
AHR P35869 1/20 0.38
PDK2 Q15119 1/20 0.38
CRBN Q96SW2 2/20 0.34
PLCG1 P19174 1/20 0.34
BRD4 O60885 7/20 0.33
CREBBP Q92793 7/20 0.33
CA9 Q16790 1/20 0.33
EP300 Q09472 1/20 0.33
CCNT1 O60563 1/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL10353387 0.90 NPC1 (0.47) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL88930 0.79 AHR (0.42) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL8853443 0.72 MEN1 (0.40) MAPTNPC1MEN1RAB9AKMT2A
SCHEMBL13477741 0.72 MEN1 (0.32) MEN1KMT2AALDH1A1
SCHEMBL7347184 0.72 MEN1 (0.32) MEN1KMT2AALDH1A1
SCHEMBL9630852 0.70 MEN1 (0.32) MEN1KMT2AALDH1A1
SCHEMBL255954 0.69 TSHR (0.44) MAPTTSHR
SCHEMBL518954 0.67 MAPT (1.00) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL2138422 0.67 MAPT (0.92) MAPTNPC1MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL28694707 0.67 TSHR (0.42) TSHR

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-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
EP-0340581-A2 Process for the chlorination in the nucleus of aromatic hydrocarbons BAYER AG (DE) 1989-11-08 EP disclosed