SCHEMBL24060749

SCHEMBL24060749

Cc1ccc(-n2nnc3ccccc32)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
TSHR P16473 2/20 0.52
GAA P10253 3/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 3/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
PKM P14618 1/20 0.46
STAT3 P40763 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.45
SLC9A1 P19634 2/20 0.44
KEAP1 Q14145 1/20 0.44
KMT2A Q03164 1/20 0.44
MGAM O43451 1/20 0.43
AMY1A P0DUB6 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL13772814 0.87 KCNMA1 (0.57) KCNMA1SMN1; SMN2TSHRGAAALDH1A1
SCHEMBL25873798 0.84 KCNMA1 (0.50) KCNMA1SMN1; SMN2TSHRGAAALDH1A1
SCHEMBL13772823 0.84 KCNMA1 (0.50) KCNMA1SMN1; SMN2TSHRGAAALDH1A1
SCHEMBL8645601 0.84 KCNMA1 (0.67) KCNMA1SMN1; SMN2TSHRGAAALDH1A1
SCHEMBL4209963 0.83 KCNMA1 (0.64) KCNMA1SMN1; SMN2TSHRGAAALDH1A1
SCHEMBL24776900 0.82 SMN1; SMN2 (0.48) KCNMA1SMN1; SMN2TSHRGAAALDH1A1
SCHEMBL29845601 0.81 KCNMA1 (0.67) KCNMA1SMN1; SMN2TSHRGAAALDH1A1
SCHEMBL24222175 0.81 KCNMA1 (0.50) KCNMA1SMN1; SMN2TSHRGAAALDH1A1
SCHEMBL25873809 0.81 KCNMA1 (0.50) KCNMA1SMN1; SMN2TSHRGAAALDH1A1
SCHEMBL890612 0.81 KCNMA1 (0.67) KCNMA1SMN1; SMN2TSHRGAAALDH1A1

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-3728167-B1 A PROCESS FOR THE PREPARATION OF CRISABOROLE OLON SPA (IT) 2021-12-01 EP disclosed