SCHEMBL30968989

SCHEMBL30968989

COc1ccc2nc(C(F)(F)F)[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 4/20 0.59
LMNA P02545 2/20 0.59
HTT P42858 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CYP1A2 P05177 6/20 0.58
CYP2C9 P11712 6/20 0.58
CYP2C19 P33261 6/20 0.58
HPGD P15428 5/20 0.58
HSD17B10 Q99714 2/20 0.58
MAPT P10636 2/20 0.58
ALOX15 P16050 1/20 0.58
NPC1 O15118 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 3/20 0.54
RAB9A P51151 3/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54

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
SCHEMBL9332158 1.00 ALDH1A1 (0.59) ALDH1A1KDM4ELMNAHTTL3MBTL1
SCHEMBL1463572 0.87 NPSR1 (0.53) ALDH1A1KDM4ELMNAHTTL3MBTL1
SCHEMBL10220063 0.85 CYP2E1 (0.61) ALDH1A1KDM4ELMNAL3MBTL1CYP1A2
SCHEMBL9674405 0.84 KDM4E (0.58) ALDH1A1KDM4ELMNAHTTL3MBTL1
SCHEMBL10628648 0.81 KDM4E (0.55) ALDH1A1KDM4ELMNAHTTL3MBTL1
SCHEMBL10628330 0.80 TRPV1 (0.54) ALDH1A1KDM4ELMNAHTTL3MBTL1
SCHEMBL1258624 0.79 KDM4E (0.65) ALDH1A1KDM4ELMNAHTTL3MBTL1
SCHEMBL13729799 0.79 MEN1 (0.61) ALDH1A1KDM4ELMNACYP1A2CYP2C9
SCHEMBL436153 0.78 ALDH1A1 (0.63) ALDH1A1KDM4ELMNAHTTL3MBTL1
SCHEMBL10623969 0.77 KDM4E (0.50) ALDH1A1KDM4ELMNAHTTL3MBTL1

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
CN-118063453-B Benzimidazole derivative, preparation method and application thereof, and agricultural bactericide 南京吉星生物技术开发有限公司 2025-02-07 CN disclosed
CN-118063453-A Benzimidazole derivative, preparation method and application thereof, and agricultural bactericide 南京吉星生物技术开发有限公司 2024-05-24 CN disclosed