SCHEMBL9630779

SCHEMBL9630779

O=C1CCC(Cl)Sc2ccccc2N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.54
CREBBP Q92793 1/20 0.54
HSD17B10 Q99714 4/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 1/20 0.53
GAA P10253 3/20 0.48
MAPK1 P28482 2/20 0.48
TP53 P04637 1/20 0.48
NPC1 O15118 2/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 3/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 2/20 0.40

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
SCHEMBL10353037 0.83 BRD4 (0.66) BRD4CREBBPHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL9629512 0.81 BRD4 (0.71) BRD4CREBBPHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL9628805 0.79 HSD17B10 (0.72) BRD4CREBBPHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL9629592 0.77 BRD4 (0.54) BRD4CREBBPHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL9628743 0.75 BRD4 (0.51) BRD4CREBBPHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL1756087 0.70 HDAC1 (0.51) BRD4CREBBPHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL31542005 0.70 HSD17B10 (0.53) BRD4CREBBPHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL4325934 0.70 HSD17B10 (0.53) BRD4CREBBPHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL11069336 0.70 BRD4 (0.66) BRD4CREBBPHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL8853797 0.70 CREBBP (1.00) BRD4CREBBPHSD17B10ALDH1A1SMN1; SMN2

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