SCHEMBL29084656

SCHEMBL29084656

COCNCCCCCCN

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.52
F13A1 P00488 2/20 0.52
CA2 P00918 2/20 0.52
CYP1A2 P05177 2/20 0.52
ALOX15 P16050 2/20 0.52
CA4 P22748 2/20 0.52
CA6 P23280 2/20 0.52
CA5A P35218 2/20 0.52
THPO P40225 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
CA5B Q9Y2D0 2/20 0.52
CA1 P00915 1/20 0.52
CA3 P07451 1/20 0.52
CYP2C9 P11712 1/20 0.52
PKM P14618 1/20 0.52
TSHR P16473 1/20 0.52
MTOR P42345 1/20 0.52
LMNA P02545 1/20 0.50

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
SCHEMBL24128062 0.85
SCHEMBL26028227 0.79 CA12 (0.56) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL245148 0.78 TSHR (0.57) TSHR
SCHEMBL19600861 0.78 TSHR (0.57) TSHR
SCHEMBL22793314 0.76 CA12 (0.59) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL12983201 0.76 CA12 (0.87) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL20261145 0.76 CA12 (0.87) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL21388272 0.76 CA12 (0.87) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL9182483 0.76 CA12 (0.87) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL16295924 0.76 CA12 (0.87) CA12F13A1CA2CYP1A2ALOX15

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
CN-116830036-A Two-component system 西托斯股份公司 2023-09-29 CN disclosed