SCHEMBL23398657

SCHEMBL23398657

Cc1ccc(-n2nc(C(C)C)cc2O)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.43
STAT1 P42224 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA1 P00915 9/20 0.42
CA2 P00918 9/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
PAX8 Q06710 1/20 0.39
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL23399290 0.83 KCNJ6 (0.50) ALDH1A1MEN1KMT2AGAASTAT1
SCHEMBL407138 0.81 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ASTAT1CYP1A2
SCHEMBL15485356 0.80 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AGAACYP1A2
SCHEMBL23400493 0.80 KCNJ6 (0.50) ALDH1A1KMT2AGAANPC1RAB9A
SCHEMBL17290503 0.79 ALDH1A1 (0.65) ALDH1A1GAACYP1A2CYP2C19NPC1
SCHEMBL23398871 0.78 CA1 (0.41) ALDH1A1MEN1KMT2ASTAT1CYP1A2
SCHEMBL23399292 0.77 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL23398671 0.75 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ASTAT1CYP1A2
SCHEMBL23400150 0.74 CA1 (0.52) ALDH1A1MEN1KMT2AGAASTAT1
SCHEMBL23400327 0.74 CYP1A2 (0.47) ALDH1A1MEN1KMT2AGAASTAT1

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