SCHEMBL8664491

SCHEMBL8664491

[CH2]c1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
KDM4E B2RXH2 3/20 0.57
POLB P06746 1/20 0.57
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
MAPT P10636 2/20 0.55
HTT P42858 2/20 0.55
MAPK1 P28482 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
PKM P14618 2/20 0.47
MEN1 O00255 1/20 0.43
STAT3 P40763 1/20 0.43
STAT1 P42224 1/20 0.43
CASP3 P42574 1/20 0.43
KMT2A Q03164 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
PLAU P00749 1/20 0.40

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
SCHEMBL3618933 0.84 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6177938 0.83 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6173806 0.82 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6176174 0.82 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6177219 0.82 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6175342 0.81 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6176543 0.80 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL6176968 0.79 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL8006677 0.79 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1
SCHEMBL10757128 0.79 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4EPOLBNPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880531-A1 SUBSTITUTED 2-PHENYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 1998-12-02 EP disclosed
WO-1997030059-A1 SUBSTITUTED 2-PHENYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 1997-08-21 WO disclosed