SCHEMBL11684355

SCHEMBL11684355

COn1c(C(F)(F)F)nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TXNRD1 Q16881 1/20 0.40
▸ TXNRD3 Q86VQ6 1/20 0.40
▸ TXNRD2 Q9NNW7 1/20 0.40
▸ CREBBP Q92793 1/20 0.37
▸ DCTPP1 Q9H773 2/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ GPR35 Q9HC97 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ TYMS P04818 2/20 0.35
▸ MPI P34949 1/20 0.34
▸ PHOSPHO1 Q8TCT1 1/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MITF O75030 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL8855627 0.87 CYP3A4 (0.43) TXNRD1TXNRD3TXNRD2DCTPP1ALDH1A1
SCHEMBL11685455 0.80 CREBBP (0.45) TXNRD1TXNRD3TXNRD2CREBBPDCTPP1
SCHEMBL8855456 0.79 CYP3A4 (0.43) TXNRD1TXNRD3TXNRD2DCTPP1ALDH1A1
SCHEMBL8855447 0.77 CYP3A4 (0.39) TXNRD1TXNRD3TXNRD2ALDH1A1MAPT
SCHEMBL11584403 0.77 ALDH1A1 (0.42) ALDH1A1MAPTCYP2C19HTTMEN1
SCHEMBL11853403 0.74 CYP3A4 (0.42) TXNRD1TXNRD3TXNRD2DCTPP1ALDH1A1
SCHEMBL11854918 0.73 PLK1 (0.41) TXNRD1TXNRD3TXNRD2DCTPP1ALDH1A1
SCHEMBL8855433 0.71 MAPT (0.40) TXNRD1TXNRD3TXNRD2DCTPP1ALDH1A1
SCHEMBL11860077 0.70 LMNA (0.36) DCTPP1TDP1LMNACYP3A4TSHR
SCHEMBL8855585 0.68 TDP1 (0.44) TXNRD1TXNRD3TXNRD2DCTPP1ALDH1A1

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-4031107-A Method for introducing amino groups into benzimidazole or imidazopyridine compounds ELI LILLY AND COMPANY (US) 1977-06-21 — — US claimed
US-4031107-A Method for introducing amino groups into benzimidazole or imidazopyridine compounds ELI LILLY AND COMPANY (US) 1977-06-21 — — US disclosed
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