SCHEMBL8947515

SCHEMBL8947515

CCCN(CCC)S(=O)(=O)n1c(C(F)(F)F)nc2c([N+](=O)[O-])cc(C(F)(F)F)cc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.48
▸ TDP1 Q9NUW8 4/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ MAPT P10636 4/20 0.45
▸ LMNA P02545 4/20 0.38
▸ GAA P10253 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ VCAM1 P19320 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ TXNRD1 Q16881 1/20 0.36
▸ TXNRD3 Q86VQ6 1/20 0.36
▸ TXNRD2 Q9NNW7 1/20 0.36
▸ PLK1 P53350 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ DCTPP1 Q9H773 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL8947549 0.93 CYP3A4 (0.43) MAPK1TDP1CYP3A4TSHRMAPT
SCHEMBL8947516 0.86 CYP3A4 (0.40) MAPK1TDP1CYP3A4TSHRMAPT
SCHEMBL11863391 0.82 ALDH1A1 (0.42) MAPK1TDP1CYP3A4TSHRMAPT
SCHEMBL8855618 0.78 LMNA (0.54) MAPK1TDP1CYP3A4TSHRMAPT
SCHEMBL11644265 0.77 MAPK1 (0.41) MAPK1TDP1CYP3A4TSHRMAPT
SCHEMBL11853403 0.73 CYP3A4 (0.42) MAPK1TDP1CYP3A4TSHRMAPT
SCHEMBL8855540 0.73 PLK1 (0.43) MAPK1TDP1CYP3A4TSHRMAPT
SCHEMBL11645840 0.72 LMNA (0.42) MAPK1TDP1CYP3A4TSHRMAPT
SCHEMBL8855525 0.72 PLK1 (0.53) MAPK1TDP1CYP3A4TSHRMAPT
SCHEMBL8855627 0.72 CYP3A4 (0.43) MAPK1TDP1CYP3A4TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5585395-A INSECTICIDES, MITICIDES, FUNGICIDES, HERBICIDES, PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1996-12-17 — — US disclosed
US-5482956-A ANTIPROTOZOA AGENTS FOR ANIMALS OR INSECTS BAYER AKTIENGESELLSCHAFT (DE) 1996-01-09 — — US disclosed
EP-0667862-A1 2-FLUOROALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1995-08-23 — — EP disclosed
EP-0667862-A1 2-FLUOROALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1995-08-23 — — EP disclosed
WO-1994011350-A1 2-FLUOROALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1994-05-26 — — WO disclosed
WO-1994011350-A1 2-FLUOROALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1994-05-26 — — WO disclosed
EP-0597304-A1 Use of substituted benzimidazoles BAYER AG (DE) 1994-05-18 — — EP disclosed
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