SCHEMBL11533466

SCHEMBL11533466

CC(=O)C(c1ccccc1)(c1cccc(C(F)(F)F)c1)n1cncn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 3/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CES2 O00748 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
KMO O15229 2/20 0.36
NOTUM Q6P988 1/20 0.36

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
SCHEMBL11531998 0.89 CES2 (0.42) MAPTHPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL11532706 0.88 LMNA (0.49) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL11534215 0.88 LMNA (0.40) MAPTHPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL11534789 0.85 ALDH1A1 (0.39) MAPTHPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL11539178 0.84 ALDH1A1 (0.47) MAPTHPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL11533025 0.83 CYP19A1 (0.46) MAPTLMNAKMT2ACYP3A4
SCHEMBL11533669 0.82 LMNA (0.43) MAPTHPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL11536312 0.81 TSHR (0.44) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL11533530 0.79 MAPT (0.46) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL11533863 0.79 LMNA (0.40) MAPTALDH1A1SMN1; SMN2LMNAKMT2A

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
US-4140782-A Combating fungi and nematodes with diphenyl-triazolyl-methanes BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US disclosed