SCHEMBL21668435

SCHEMBL21668435

CC(C)c1ccccc1-n1nnc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 1/20 0.58
▸ RAB9A P51151 1/20 0.46
▸ SLC9A1 P19634 3/20 0.46
▸ KEAP1 Q14145 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ POLB P06746 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ CYP4Z1 Q86W10 1/20 0.42
▸ FAAH O00519 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ ACHE P22303 1/20 0.41

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
SCHEMBL21668428 0.82 KCNMA1 (0.47) KCNMA1RAB9ASLC9A1KEAP1SMN1; SMN2
SCHEMBL12530575 0.78 FAAH (0.42) KCNMA1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL25862494 0.77 KCNMA1 (0.64) KCNMA1RAB9ASLC9A1KEAP1SMN1; SMN2
SCHEMBL4209963 0.77 KCNMA1 (0.64) KCNMA1RAB9ASLC9A1KEAP1SMN1; SMN2
SCHEMBL8917812 0.77 KCNMA1 (0.55) KCNMA1RAB9ASLC9A1KEAP1SMN1; SMN2
SCHEMBL18500982 0.77 KCNMA1 (0.55) KCNMA1RAB9ASLC9A1KEAP1SMN1; SMN2
SCHEMBL21535095 0.76 KCNMA1 (0.43) KCNMA1RAB9ASLC9A1KEAP1SMN1; SMN2
SCHEMBL14551979 0.74 DHODH (0.43) TSHRALDH1A1MAPTFAAHMGLL
SCHEMBL14551977 0.74 DHODH (0.43) TSHRALDH1A1MAPTFAAHMGLL
SCHEMBL24776900 0.74 SMN1; SMN2 (0.48) KCNMA1RAB9ASLC9A1KEAP1SMN1; SMN2

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-3429355-B1 SUBSTITUTED SULFONYLAMIDE FOR COMBATING ANIMAL PESTS BAYER CROPSCIENCE AG (DE) 2020-02-05 — — EP disclosed
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