SCHEMBL11307451

SCHEMBL11307451

O=C(Br)c1ccccc1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.63
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CHRNB2 P17787 3/20 0.55
CHRNB4 P30926 3/20 0.55
CHRNA3 P32297 3/20 0.55
CHRNA4 P43681 3/20 0.55
HNF4A P41235 1/20 0.53
TSHR P16473 1/20 0.52
RECQL P46063 1/20 0.52
ALDH1A1 P00352 4/20 0.51
GPR52 Q9Y2T5 1/20 0.49
FABP3 P05413 1/20 0.48
FABP4 P15090 1/20 0.48
FABP5 Q01469 1/20 0.48
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL8757509 0.84 HNF4A (0.52) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL26624744 0.81 HNF4A (0.69) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
Benzene SCHEMBL1403559 0.81 HNF4A (0.69) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL5549354 0.81 BCAT2 (0.68) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
Benzene SCHEMBL28480917 0.81 HNF4A (0.69) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL3806467 0.81 BCAT2 (0.68) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL133057 0.81 HNF4A (0.69) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL28774592 0.80 BCAT2 (0.61) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL17371707 0.79 HNF4A (0.67) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL7407371 0.79 HNF4A (0.73) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4307232-A Preparation of dialkyl- and diarylphosphonoalkanoic acids and substituted acrylic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-12-22 US disclosed