SCHEMBL8623725

SCHEMBL8623725

C=CCn1c(C(F)(F)F)nc2cc(Cl)c(Cl)cc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
LMNA P02545 3/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
DCTPP1 Q9H773 2/20 0.35
BRD4 O60885 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
RHEB Q15382 1/20 0.33
AR P10275 2/20 0.33
PPARG P37231 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL8520151 0.83 ACSS2 (0.44) KDM4ELMNAALDH1A1HPGDGAA
SCHEMBL8437208 0.77 AR (0.36) KDM4ELMNAALDH1A1HPGDDCTPP1
SCHEMBL28437470 0.76 GAA (0.57) KDM4ELMNAALDH1A1HPGDGAA
SCHEMBL7750649 0.74 DCTPP1 (0.41) KDM4ELMNAALDH1A1HPGDDCTPP1
SCHEMBL1635834 0.73 ALDH1A1 (0.42) KDM4ELMNAALDH1A1HPGDBRD4
SCHEMBL30581251 0.71 ALDH1A1 (0.64) KDM4ELMNAALDH1A1HPGDBRD4
SCHEMBL29076123 0.71 ALDH1A1 (0.64) KDM4ELMNAALDH1A1HPGDBRD4
SCHEMBL11485255 0.71 ALDH1A1 (0.40) KDM4ELMNAALDH1A1HPGDDCTPP1
SCHEMBL13676921 0.69 ACSS2 (0.47) KDM4ELMNAALDH1A1HPGDGAA
SCHEMBL13676920 0.69 KMT2A (0.45) KDM4ELMNAALDH1A1HPGDGAA

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-0667863-B1 2-PERHALOGENALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1998-06-03 EP disclosed