SCHEMBL5090901

SCHEMBL5090901

N=Cc1cccc(-c2cccc(C=N)c2O)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
ERN1 O75460 4/20 0.38
GAA P10253 2/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ADAMTS4 O75173 1/20 0.33
EGFR P00533 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
FYN P06241 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MMP8 P22894 1/20 0.33
CA6 P23280 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL7137843 0.85 HNF4A (0.48) ALDH1A1HPGDHSD17B10AKR1B1HDAC4
SCHEMBL14899338 0.80 ERN1 (0.60) ERN1GAAPOLBRAB9ALMNA
SCHEMBL20866822 0.77 PARP1 (0.41) POLBLMNAALDH1A1
SCHEMBL19782076 0.76 ALDH1A1 (0.56) GABRA1GABRB2ERN1GAAPOLB
SCHEMBL15032224 0.76 TSHR (0.39) ERN1GAAPOLBRAB9ALMNA
SCHEMBL31152506 0.75 ERN1 (0.67) GABRA1GABRB2ERN1LMNAALDH1A1
SCHEMBL16439936 0.75 ERN1 (0.67) GABRA1GABRB2ERN1LMNAALDH1A1
SCHEMBL5463687 0.72 ALDH1A1 (0.52) LMNAALDH1A1CA1CA2MMP2
SCHEMBL10054715 0.72 TLR2 (0.67) ERN1GAAPOLBRAB9ALMNA
SCHEMBL21883548 0.72 BACE1 (0.36) ERN1GAAPOLBRAB9AALDH1A1

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-7435701-B2 Catalytic composition and its preparation and use for preparing polymers from ethylenically unsaturated monomers ROHM AND HAAS COMPANY (US) 2008-10-14 US disclosed
EP-1728553-A2 A catalytic composition comprising a neutral metal-pair complex and its preparation and use for preparing polymers from ethylenically unsaturated monomers Rohm and Haas Company (US) 2006-12-06 EP disclosed
US-20060270811-A1 Catalytic composition and its preparation and use for preparing polymers from ethylenically unsaturated monomers ROHM AND HAAS COMPANY 2006-11-30 US disclosed