SCHEMBL6950399

SCHEMBL6950399

Cc1c([N+](=O)[O-])cc(F)c2[nH]cnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ KDM4E B2RXH2 4/20 0.37
▸ TDP1 Q9NUW8 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ CASP6 P55212 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ THRB P10828 2/20 0.37
▸ RECQL P46063 2/20 0.37
▸ BLM P54132 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ TDO2 P48775 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ GRIN2D O15399 1/20 0.35
▸ GRIN3B O60391 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35

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
SCHEMBL6950405 0.88 MEN1 (0.46) MEN1KMT2AKDM4ETDP1ALDH1A1
SCHEMBL6142538 0.84 MEN1 (0.51) MEN1KMT2AKDM4ETDP1ALDH1A1
SCHEMBL6581939 0.78 RXFP1 (0.44) MEN1KMT2AKDM4ETDP1ALDH1A1
SCHEMBL14035181 0.78 TSHR (0.43) MEN1KMT2AKDM4ETDP1ALDH1A1
SCHEMBL6142542 0.78 MEN1 (0.51) MEN1KMT2AKDM4ETDP1ALDH1A1
SCHEMBL14035182 0.77 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTBLM
SCHEMBL4638722 0.72 RXFP1 (0.44) MEN1KMT2AKDM4ETDP1ALDH1A1
SCHEMBL4638675 0.72 TSHR (0.43) MEN1KMT2AKDM4ETDP1CASP6
SCHEMBL15684676 0.72 MEN1 (0.43) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL4638920 0.71 KMT2A (0.42) MEN1KMT2AALDH1A1MAPTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736022-B1 5-(2-IMIDAZOLINYLAMINO)BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2003-09-24 — — EP disclosed
US-5691370-A 5-(2-imidazolinylamino)benzimidazole compounds useful as alpha-2-adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 1997-11-25 — — US disclosed
EP-0736022-A1 5-(2-IMIDAZOLINYLAMINO)BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1996-10-09 — — EP disclosed
US-5541210-A ANALGESICS, ANTIINFLAMMATORY AGENTS, ANTIHISTAMINES OR COUGH MEDICINE THE PROCTER & GAMBLE COMPANY (US) 1996-07-30 — — US disclosed
US-5478858-A Respiratory system disorders, gastrointestinal disorders THE PROCTER & GAMBLE COMPANY (US) 1995-12-26 — — US disclosed
WO-1995016685-A1 5-(2-IMIDAZOLINYLAMINO)BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1995-06-22 — — WO disclosed
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