SCHEMBL9629700

SCHEMBL9629700

O=C1CC2CCCCC2Sc2ccccc2N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.57
CREBBP Q92793 7/20 0.57
ALDH1A1 P00352 4/20 0.56
HSD17B10 Q99714 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 2/20 0.51
GAA P10253 2/20 0.51
TP53 P04637 1/20 0.51
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
EP300 Q09472 1/20 0.40
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GLA P06280 1/20 0.38
USP2 O75604 1/20 0.38
ESR1 P03372 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL9628914 0.78 MAOA (0.45) BRD4CREBBPALDH1A1SMN1; SMN2TSHR
SCHEMBL8853731 0.76 HSD17B10 (0.46) BRD4CREBBPALDH1A1HSD17B10SMN1; SMN2
SCHEMBL9629617 0.74 MEN1 (0.42) BRD4CREBBPALDH1A1HSD17B10SMN1; SMN2
SCHEMBL10353037 0.73 BRD4 (0.66) BRD4CREBBPALDH1A1HSD17B10SMN1; SMN2
SCHEMBL8853797 0.73 CREBBP (1.00) BRD4CREBBPALDH1A1HSD17B10SMN1; SMN2
SCHEMBL11069336 0.73 BRD4 (0.66) BRD4CREBBPALDH1A1HSD17B10SMN1; SMN2
SCHEMBL14159608 0.73 SIGMAR1 (0.42) MAPK1MAPT
SCHEMBL9817819 0.72 ALDH1A1 (1.00) BRD4CREBBPALDH1A1HSD17B10SMN1; SMN2
SCHEMBL9629696 0.71 CREBBP (0.71) BRD4CREBBPALDH1A1HSD17B10SMN1; SMN2
SCHEMBL9630822 0.71 TSHR (0.38) BRD4CREBBPALDH1A1HSD17B10SMN1; 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