SCHEMBL11599752

SCHEMBL11599752

O=C(c1ccccc1-c1ccc(-c2ccccc2)cc1)C(Cl)(Cl)Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.53
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CHRNB2 P17787 3/20 0.47
CHRNB4 P30926 3/20 0.47
CHRNA3 P32297 3/20 0.47
CHRNA4 P43681 3/20 0.47
HNF4A P41235 1/20 0.46
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
SLC6A3 Q01959 2/20 0.44
SLC6A4 P31645 1/20 0.44
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
CDC25B P30305 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL11599755 0.86 ACMSD (0.47) BCAT2MEN1KMT2ASMN1; SMN2HNF4A
SCHEMBL9639015 0.84 ALDH1A1 (0.40) BCAT2MEN1KMT2AHNF4AALDH1A1
SCHEMBL9639019 0.82 HNF4A (0.47) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL28774592 0.80 BCAT2 (0.61) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL11602495 0.79 SMN1; SMN2 (0.44) BCAT2SMN1; SMN2HNF4ACDC25BATM
SCHEMBL13543201 0.79 BCAT2 (0.59) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL18825620 0.79 BCAT2 (0.59) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL505412 0.78 HNF4A (0.64) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL32677769 0.78 HNF4A (0.64) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL32677772 0.78 HNF4A (0.64) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2

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
US-4089815-A Photopolymerization initiators SUN CHEMICAL CORPORATION (US) 1978-05-16 US disclosed
US-3992363-A POLY(TRICHLOROACETYL-STYRENE) SUN CHEMICAL CORPORATION (US) 1976-11-16 US disclosed
US-3978133-A UNSATURATED MONOMERS, POLYHALOACETYL SUN CHEMICAL CORPORATION (US) 1976-08-31 US disclosed