SCHEMBL9724200

SCHEMBL9724200

Cc1cc(Cl)c2cc(CBr)c(C)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.41
NR4A2 P43354 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.33
CRHR1 P34998 1/20 0.31
ERBB2 P04626 1/20 0.30
ALDH1A1 P00352 3/20 0.30

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
SCHEMBL9724203 0.80 MAPT (0.63) MAPTLMNAPOLBNR4A2L3MBTL1
SCHEMBL5514349 0.77 MAPT (0.51) MAPTLMNAPOLBNR4A2L3MBTL1
SCHEMBL10519226 0.74 MAPT (0.56) MAPTLMNAPOLBNR4A2L3MBTL1
SCHEMBL9380126 0.73 LMNA (0.62) MAPTLMNAPOLBNR4A2L3MBTL1
SCHEMBL5026883 0.70 MAPT (0.56) MAPTLMNAPOLBNR4A2L3MBTL1
SCHEMBL9216843 0.69 KDM4E (0.55) MAPTLMNAPOLBALDH1A1
Hydrochloric Acid SCHEMBL9494656 0.68 LMNA (0.96) MAPTLMNAPOLBL3MBTL1CYP1A2
SCHEMBL24658982 0.68 MAPT (0.53) MAPTLMNAPOLBNR4A2L3MBTL1
SCHEMBL4913124 0.68 ALDH1A1 (0.54) MAPTLMNAPOLBCYP1A2ALDH1A1
SCHEMBL6605146 0.68 MAPT (0.49) MAPTLMNAPOLBALDH1A1

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
US-5112837-A Inhibitors of thymidylate synthetase enzyme IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-05-12 US disclosed
EP-0318225-A2 6-Aryl aminomethyl quinoline derivatives and their use as anti-tumour agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-31 EP disclosed