SCHEMBL11813301

SCHEMBL11813301

CCn1c(C)nc2cc(C(F)(F)F)c(N(C)C)c([N+](=O)[O-])c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.37
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ POLB P06746 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ USP2 O75604 1/20 0.30

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
SCHEMBL11861925 0.85 LMNA (0.39) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL11810808 0.84 LMNA (0.39) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL11806359 0.83 LMNA (0.38) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL11813003 0.80 KDM4E (0.38) LMNAHTTSMN1; SMN2MAPTHPGD
SCHEMBL11816808 0.76 ALDH1A1 (0.38) LMNAHTTALDH1A1MAPTHPGD
SCHEMBL11825070 0.76 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL11869897 0.73 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL11813265 0.73 ALDH1A1 (0.36) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL11819346 0.73 ALDH1A1 (0.34) LMNAHTTALDH1A1MAPTRAB9A
SCHEMBL11857528 0.73 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19

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-3954438-A 5-Trifluoromethyl-7-aminobenzimidazoles herbicides UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1976-05-04 — — US disclosed
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