SCHEMBL9761896

SCHEMBL9761896

Nc1cc(C(c2ccc([N+](=O)[O-])c(N)c2)(C(F)(F)F)C(F)(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.55
TSHR P16473 3/20 0.55
ALDH1A1 P00352 4/20 0.51
MAPT P10636 6/20 0.44
LMNA P02545 3/20 0.44
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
RECQL P46063 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
ATM Q13315 1/20 0.38

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
SCHEMBL9390866 0.86 TDP1 (0.55) TDP1TSHRALDH1A1MAPTLMNA
SCHEMBL331522 0.86 ALDH1A1 (0.64) TDP1TSHRALDH1A1MAPTLMNA
SCHEMBL6297719 0.79 TDP1 (0.58) TDP1TSHRALDH1A1MAPTLMNA
SCHEMBL29836953 0.77 ALDH1A1 (0.55) TDP1TSHRALDH1A1MAPTLMNA
SCHEMBL27710739 0.76 MEN1 (0.53) TDP1ALDH1A1MAPTLMNAMAPK1
SCHEMBL27752710 0.76 ALDH1A1 (0.56) TDP1TSHRALDH1A1MAPTLMNA
SCHEMBL4649869 0.76 ALDH1A1 (0.53) TDP1TSHRALDH1A1MAPTLMNA
SCHEMBL31447707 0.76 ALDH1A1 (0.53) TDP1TSHRALDH1A1MAPTLMNA
SCHEMBL29837196 0.76 ALDH1A1 (0.53) TDP1TSHRALDH1A1MAPTLMNA
SCHEMBL11012181 0.73 MAPT (0.52) TDP1TSHRALDH1A1MAPTLMNA

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
EP-0297570-B1 2,2-BIS-(3-AMINOPHENYL)-HEXAFLUOROPROPANE DERIVATIVES AND PROCESS FOR THE PREPARATION OF 2,2-BIS-(3,4-DIAMINOPHENYL)-HEXAFLUOROPROPANE HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-05 EP claimed
EP-0297570-A2 2,2-Bis-(3-aminophenyl)-hexafluoropropane derivatives and process for the preparation of 2,2-bis-(3,4-diaminophenyl)-hexafluoropropane HOECHST AKTIENGESELLSCHAFT (DE) 1989-01-04 EP claimed
EP-0297570-B1 2,2-BIS-(3-AMINOPHENYL)-HEXAFLUOROPROPANE DERIVATIVES AND PROCESS FOR THE PREPARATION OF 2,2-BIS-(3,4-DIAMINOPHENYL)-HEXAFLUOROPROPANE HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-05 EP disclosed
US-4922019-A Derivatives of 2,2-bis-(3-aminophenyl)hexafluoropropane and process for the preparation of 2,2-bis-(3,4-diaminophenyl)hexafluoropropane HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-01 US disclosed
US-4922019-A Derivatives of 2,2-bis-(3-aminophenyl)hexafluoropropane and process for the preparation of 2,2-bis-(3,4-diaminophenyl)hexafluoropropane HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-01 US disclosed
EP-0297570-A2 2,2-Bis-(3-aminophenyl)-hexafluoropropane derivatives and process for the preparation of 2,2-bis-(3,4-diaminophenyl)-hexafluoropropane HOECHST AKTIENGESELLSCHAFT (DE) 1989-01-04 EP disclosed
EP-0297570-A2 2,2-Bis-(3-aminophenyl)-hexafluoropropane derivatives and process for the preparation of 2,2-bis-(3,4-diaminophenyl)-hexafluoropropane HOECHST AKTIENGESELLSCHAFT (DE) 1989-01-04 EP disclosed