SCHEMBL30281187

SCHEMBL30281187

O=C(O)c1ccccc1CC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.53
ALDH1A1 P00352 4/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.49
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
HMGB1 P09429 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HPGD P15428 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA9 Q16790 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
CA14 Q9ULX7 1/20 0.43
HIF1A Q16665 2/20 0.42

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
SCHEMBL1349618 1.00 FOLH1 (0.53) FOLH1ALDH1A1ALOX15TSHRTP53
SCHEMBL9954558 0.83 FOLH1 (0.57) FOLH1ALDH1A1ALOX15TSHRTP53
SCHEMBL27517607 0.83 MRGPRX4 (0.49) FOLH1ALDH1A1ALOX15TSHRHMGB1
SCHEMBL19565887 0.82 HCRTR2 (0.44) ALDH1A1KDM4ESMN1; SMN2HCRTR1HCRTR2
SCHEMBL363265 0.82 KDM4E (0.45) ALDH1A1TSHRKDM4EHPGDGAA
SCHEMBL9243615 0.82 ALDH1A1 (0.48) FOLH1ALDH1A1ALOX15GAAHCRTR1
SCHEMBL27948149 0.82 MRGPRX4 (0.45) FOLH1ALDH1A1ALOX15TSHRHTT
SCHEMBL11881450 0.82 FOLH1 (0.55) FOLH1ALDH1A1ALOX15TSHRTP53
SCHEMBL24072616 0.81 FOLH1 (0.59) FOLH1ALDH1A1ALOX15TSHRTP53
Hydrochloric Acid SCHEMBL28047477 0.81 KDM4E (0.44) ALDH1A1TSHRKDM4EHPGDGAA

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-4143195-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 Janssen Pharmaceutica NV (BE) 2023-03-08 EP disclosed