SCHEMBL6960706

SCHEMBL6960706

Nc1cc(-c2cccc(Br)c2)[nH]n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
KMT2A Q03164 3/20 0.66
MEN1 O00255 2/20 0.66
USP2 O75604 1/20 0.66
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.51
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
IKBKB O14920 1/20 0.51
CDK2 P24941 2/20 0.49
SNCA P37840 1/20 0.49
NPC1 O15118 3/20 0.49
TSHR P16473 2/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
DCUN1D1 Q96GG9 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
MITF O75030 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL13815700 0.79 KMT2A (1.00) ALDH1A1KMT2AMEN1USP2LMNA
SCHEMBL31660337 0.79 SNCA (0.60) ALDH1A1KMT2AMEN1USP2LMNA
SCHEMBL15425127 0.79 SNCA (0.60) ALDH1A1KMT2AMEN1USP2LMNA
SCHEMBL330565 0.79 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1USP2LMNA
SCHEMBL28572920 0.79 SMN1; SMN2 (0.66) ALDH1A1KMT2AMEN1USP2LMNA
SCHEMBL6967479 0.79 MKNK1 (0.66) ALDH1A1KMT2AMEN1USP2LMNA
SCHEMBL27632755 0.79 IKBKB (0.51) ALDH1A1KMT2AMEN1USP2LMNA
SCHEMBL30512092 0.79 SMN1; SMN2 (0.66) ALDH1A1KMT2AMEN1USP2LMNA
SCHEMBL1853364 0.79 LMNA (0.56) ALDH1A1KMT2AMEN1USP2LMNA
SCHEMBL16500506 0.76 SNCA (0.60) ALDH1A1KMT2AMEN1USP2LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0955293-B1 UREA DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-19 EP disclosed
EP-0945438-B1 PYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-05 EP disclosed
US-6057335-A Pyrazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-05-02 US disclosed
US-6043246-A Urea derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-03-28 US disclosed
EP-0955293-A1 NOVEL UREA DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-11-10 EP disclosed
EP-0945438-A1 PYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed