SCHEMBL11539178

SCHEMBL11539178

O=C(c1ccc(Cl)cc1)C(c1ccccc1)(c1cccc(C(F)(F)F)c1)n1cncn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MGLL Q99685 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CYP19A1 P11511 1/20 0.39
CCR1 P32246 3/20 0.39
PPARG P37231 3/20 0.38
TSHR P16473 1/20 0.38
LTC4S Q16873 1/20 0.37
HTT P42858 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
SCHEMBL11531998 0.92 CES2 (0.42) ALDH1A1MAPTHPGDSMN1; SMN2MEN1
SCHEMBL11531469 0.90 SMN1; SMN2 (0.47) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11532826 0.89 SMN1; SMN2 (0.46) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11534013 0.88 SMN1; SMN2 (0.41) ALDH1A1MGLLMAPTSMN1; SMN2MEN1
SCHEMBL11531901 0.86 SMN1; SMN2 (0.46) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11531951 0.85 KMT2A (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ARXFP1
SCHEMBL11533705 0.85 KMT2A (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ARXFP1
SCHEMBL11531685 0.85 SMN1; SMN2 (0.47) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11531949 0.84 SMN1; SMN2 (0.43) ALDH1A1MGLLMAPTHPGDSMN1; SMN2
SCHEMBL11533466 0.84 MAPT (0.40) ALDH1A1MAPTHPGDSMN1; SMN2MEN1

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