SCHEMBL1436049

SCHEMBL1436049

O=C(c1ccccc1O)N(O)Cc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.72
TDP1 Q9NUW8 2/20 0.56
KDM4E B2RXH2 2/20 0.51
HPGD P15428 3/20 0.48
ALDH1A1 P00352 3/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
HMGB1 P09429 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA9 Q16790 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
CA14 Q9ULX7 1/20 0.48
PDK1 Q15118 1/20 0.48
ALOX5 P09917 2/20 0.47
KMT2A Q03164 2/20 0.46
RIPK1 Q13546 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
SCHEMBL12354118 0.84 TSHR (1.00) TSHRTDP1KDM4EHPGDALDH1A1
SCHEMBL7609036 0.78 TSHR (0.51) TSHRTDP1KDM4EHPGDALDH1A1
SCHEMBL7646415 0.77 HSD11B1 (0.54) TSHRTDP1KDM4EALOX5KMT2A
SCHEMBL9508171 0.77 KMT2A (0.61) TSHRKDM4EHPGDALDH1A1SMN1; SMN2
Salicylic Acid SCHEMBL31121245 0.76 ALDH1A1 (0.67) TSHRTDP1KDM4EHPGDALDH1A1
SCHEMBL3279004 0.76 ALOX5 (0.60) TSHRALDH1A1CA12SMN1; SMN2CA9
SCHEMBL9760694 0.74 KDM4E (0.56) TSHRTDP1KDM4EHPGDALDH1A1
SCHEMBL11127626 0.72 ALOX5 (0.56) TSHRALDH1A1CA12SMN1; SMN2CA9
SCHEMBL11790045 0.72 TSHR (0.58) TSHRTDP1KDM4EHPGDALDH1A1
SCHEMBL27774828 0.72 HPGD (0.54) TSHRTDP1KDM4EHPGDALDH1A1

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
EP-1362511-B1 Protective solution for preventing ischaemia KOEHLER CHEMIE DR FRANZ (DE) 2011-03-30 EP claimed