SCHEMBL9482122

SCHEMBL9482122

CCCCCCCCCCCCCCCCCc1nc(C)c[nH]1.[Zn]

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
GPR84 Q9NQS5 5/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL83498 0.98 ALDH1A1 (0.46) ALDH1A1PKMHPGDGPR84KCNH2
SCHEMBL9956114 0.98 ALDH1A1 (0.46) ALDH1A1PKMHPGDGPR84KCNH2
SCHEMBL27680704 0.98 ALDH1A1 (0.46) ALDH1A1PKMHPGDGPR84KCNH2
SCHEMBL27699982 0.98 ALDH1A1 (0.46) ALDH1A1PKMHPGDGPR84KCNH2
SCHEMBL905200 0.98 ALDH1A1 (0.46) ALDH1A1PKMHPGDGPR84KCNH2
SCHEMBL24880067 0.98 ALDH1A1 (0.46) ALDH1A1PKMHPGDGPR84KCNH2
SCHEMBL535754 0.98 ALDH1A1 (0.46) ALDH1A1PKMHPGDGPR84KCNH2
Hydrochloric Acid SCHEMBL28365190 0.96 ALDH1A1 (0.44) ALDH1A1PKMHPGDGPR84KCNH2
Water SCHEMBL27834068 0.96 ALDH1A1 (0.44) ALDH1A1PKMHPGDGPR84KCNH2
Water SCHEMBL28794479 0.96 ALDH1A1 (0.44) ALDH1A1PKMHPGDGPR84KCNH2

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-5266433-A Imidazole additive SHARP KABUSHIKI KAISHA (JP) 1993-11-30 US disclosed