SCHEMBL10690757

SCHEMBL10690757

C=CCCC(=O)Nc1cc(Cl)ccc1CC=C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
POLB P06746 5/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.43
PTGDR Q13258 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL10690890 0.80 HDAC3 (0.49) MEN1KMT2APOLBGAAMAPT
SCHEMBL27353720 0.79 LMNA (0.56) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL2274138 0.74 ALDH1A1 (0.58) MEN1KMT2APOLBGAATSHR
SCHEMBL28997262 0.72 MAPT (0.56) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL30226098 0.72 MAPT (0.56) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL22739318 0.72 PTGDR (0.41) MEN1KMT2APOLBGAAPTGDR
SCHEMBL31519070 0.68 TSHR (0.56) MEN1KMT2APOLBGAATSHR
SCHEMBL9109237 0.68 CYP3A4 (0.59) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL6391049 0.67 PTGDR (0.60) MEN1KMT2AGAATSHRPTGDR
SCHEMBL14466455 0.67 ABL1 (0.50) MEN1KMT2APOLBGAATSHR

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-4721797-A Process for the preparation of N-acyl-N-alkyl-2,6-dialkyl-3-chloroanilines CIBA-GEIGY CORPORATION (US) 1988-01-26 US disclosed
US-4401833-A Process for the preparation of 4-chloro-2,6-dialkylanilines BAYER AKTIENGESELLSCHAFT (DE) 1983-08-30 US disclosed