SCHEMBL23401618

SCHEMBL23401618

CCn1nc(O)c(C)c1-c1ccccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.40
LMNA P02545 4/20 0.35
ALOX15 P16050 3/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
RAB9A P51151 3/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CYP1A2 P05177 1/20 0.35
SLC9A1 P19634 1/20 0.34
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GFER P55789 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
CASP3 P42574 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
SCHEMBL23401437 0.88 ESR1 (0.40) TRPM8ALOX15SMN1; SMN2RAB9AHPGD
SCHEMBL23402865 0.85 NR1H3 (0.40) TRPM8TSHRMAPTCYP1A2SLC9A1
SCHEMBL23400474 0.84 TRPM8 (0.39) TRPM8LMNAALOX15SMN1; SMN2RAB9A
SCHEMBL23398621 0.83 PIK3CD (0.34) TRPM8LMNAALOX15SMN1; SMN2RAB9A
SCHEMBL23399576 0.82 TRPM8 (0.38) TRPM8LMNAALOX15SMN1; SMN2RAB9A
SCHEMBL23402566 0.82 TRPM8 (0.40) TRPM8LMNASMN1; SMN2RAB9AHPGD
SCHEMBL23402241 0.82 TRPM8 (0.40) TRPM8LMNAALOX15SMN1; SMN2RAB9A
SCHEMBL23399906 0.81 ALOX15 (0.41) TRPM8LMNAALOX15SMN1; SMN2RAB9A
SCHEMBL23401075 0.80 HTR2A (0.47) LMNAALOX15SMN1; SMN2RAB9AUSP2
SCHEMBL23398455 0.78 TDP2 (0.39) TRPM8LMNAALOX15SMN1; SMN2RAB9A

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed