SCHEMBL23401403

SCHEMBL23401403

Cc1ccc(-c2nn(C)c(O)c2CC(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 2/20 0.35
CYP2C19 P33261 1/20 0.35
DPP4 P27487 3/20 0.34
DPP8 Q6V1X1 2/20 0.34
ATM Q13315 1/20 0.34
DPP9 Q86TI2 1/20 0.34
RECQL P46063 1/20 0.33
CNR1 P21554 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
SCHEMBL23401695 0.86 SMN1; SMN2 (0.48) SMN1; SMN2POLBMAPTLMNAALDH1A1
SCHEMBL23402815 0.85 RET (0.39) SMN1; SMN2POLBMAPTLMNAALDH1A1
SCHEMBL23400775 0.83 ESR1 (0.42) SMN1; SMN2POLBMAPTLMNAALDH1A1
SCHEMBL23399461 0.83 SMN1; SMN2 (0.37) SMN1; SMN2POLBMAPTLMNAALDH1A1
SCHEMBL23402982 0.83 SMN1; SMN2 (0.46) SMN1; SMN2POLBMAPTLMNAALDH1A1
SCHEMBL23402518 0.82 KMT2A (0.44) SMN1; SMN2POLBMAPTLMNAALDH1A1
SCHEMBL23401149 0.82 RAB9A (0.36) SMN1; SMN2POLBMAPTALDH1A1RAB9A
SCHEMBL23401643 0.81 RIPK2 (0.41) SMN1; SMN2POLBMAPTLMNAALDH1A1
SCHEMBL23398856 0.80 MAPT (0.47) SMN1; SMN2POLBMAPTLMNAALDH1A1
SCHEMBL23399773 0.79 SMN1; SMN2 (0.43) SMN1; SMN2POLBMAPTLMNAALDH1A1

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