SCHEMBL11806359

SCHEMBL11806359

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.38
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ DCTPP1 Q9H773 2/20 0.35
▸ HPGD P15428 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ GAA P10253 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ POLB P06746 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
SCHEMBL11858474 0.87 CYP1A2 (0.34) LMNAHTTALDH1A1TDP1TSHR
SCHEMBL11861925 0.86 LMNA (0.39) LMNAHTTSMN1; SMN2ALDH1A1TDP1
SCHEMBL11825070 0.85 ALDH1A1 (0.37) ALDH1A1TDP1TSHRCYP1A2CYP3A4
SCHEMBL11810808 0.85 LMNA (0.39) LMNAHTTSMN1; SMN2ALDH1A1DCTPP1
SCHEMBL11813301 0.83 LMNA (0.37) LMNAHTTSMN1; SMN2ALDH1A1TDP1
SCHEMBL11861299 0.81 ALDH1A1 (0.37) LMNASMN1; SMN2ALDH1A1TDP1TSHR
SCHEMBL11806507 0.81 TDP1 (0.40) LMNAHTTSMN1; SMN2TDP1TSHR
SCHEMBL11559410 0.81 TDP1 (0.36) LMNAHTTSMN1; SMN2ALDH1A1TDP1
SCHEMBL11804831 0.79 TDP1 (0.39) LMNAHTTSMN1; SMN2TDP1TSHR
SCHEMBL11855183 0.77 ALDH1A1 (0.36) LMNASMN1; SMN2ALDH1A1TDP1TSHR

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
US-3954788-A INTERMEDIATES FOR HERBIDIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1976-05-04 — — US disclosed
US-3954438-A 5-Trifluoromethyl-7-aminobenzimidazoles herbicides UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1976-05-04 — — US disclosed
Send feedback