SCHEMBL9629704

SCHEMBL9629704

CCCCC1CC(=O)Nc2ccccc2SC1CCCC

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.55
CREBBP Q92793 4/20 0.55
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPK1 P28482 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 2/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
EP300 Q09472 1/20 0.38
POLB P06746 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
SCHEMBL9628917 0.82 MAOA (0.42) BRD4CREBBPALDH1A1SMN1; SMN2MAPK1
SCHEMBL9287395 0.79 BRD4 (0.57) BRD4CREBBPALDH1A1TSHRHSD17B10
SCHEMBL8853215 0.78 BRD4 (0.56) BRD4CREBBPALDH1A1TSHRHSD17B10
SCHEMBL8853387 0.77 BRD4 (0.61) BRD4CREBBPALDH1A1TSHRHSD17B10
SCHEMBL9629538 0.75 SIRT2 (0.35) BRD4CREBBPALDH1A1SMN1; SMN2TP53
SCHEMBL8853794 0.74 BRD4 (0.65) BRD4CREBBPALDH1A1TSHRHSD17B10
SCHEMBL9722712 0.73 HSD17B10 (0.52) TSHRHSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL9722706 0.73 HSD17B10 (0.52) TSHRHSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL9722708 0.73 HSD17B10 (0.52) TSHRHSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL3250724 0.72 HSD17B10 (0.58) ALDH1A1TSHRHSD17B10SMN1; SMN2MAPK1

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