SCHEMBL8922319

SCHEMBL8922319

CNc1c([N+](=O)[O-])c(Br)nn1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38
DCTPP1 Q9H773 1/20 0.38
HTT P42858 1/20 0.38
CNR1 P21554 1/20 0.37
ACHE P22303 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL8920720 0.87 MAPT (0.41) MAPTALDH1A1CYP3A4SMN1; SMN2GAA
SCHEMBL8919318 0.86 HTT (0.44) MAPTALDH1A1CYP3A4SMN1; SMN2MEN1
SCHEMBL9089433 0.85 RAB9A (0.47) MAPTALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL8920042 0.83 POLB (0.45) MAPTALDH1A1CYP3A4SMN1; SMN2GAA
SCHEMBL8640609 0.82 SMN1; SMN2 (0.50) MAPTALDH1A1CYP3A4SMN1; SMN2MEN1
SCHEMBL1076717 0.82 MAPT (0.48) MAPTALDH1A1CYP3A4SMN1; SMN2GAA
SCHEMBL9228935 0.82 ALDH1A1 (0.37) MAPTALDH1A1CYP3A4SMN1; SMN2GAA
SCHEMBL8641624 0.81 MAPT (0.46) MAPTALDH1A1CYP3A4SMN1; SMN2GAA
SCHEMBL6755732 0.80 MAPT (0.42) MAPTALDH1A1CYP3A4SMN1; SMN2GAA
SCHEMBL9088185 0.80 EGFR (0.50) MAPTALDH1A1SMN1; SMN2GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618902-A1 PROCESS FOR PRODUCING 4,5-DIAMINO PYRAZOLE DERIVATIVES, THEIR USE FOR COLOURING HAIR AND NOVEL PYRAZOLE DERIVATIVES Wella Aktiengesellschaft (DE) 1994-10-12 EP claimed
WO-1994008969-A1 PROCESS FOR PRODUCING 4,5-DIAMINO PYRAZOLE DERIVATIVES, THEIR USE FOR COLOURING HAIR AND NOVEL PYRAZOLE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1994-04-28 WO claimed
US-5663366-A Process for the synthesis of 4,5-diaminopyrazole derivatives useful for dyeing hair WELLA AKTIENGESELLSCHAT (DE) 1997-09-02 US disclosed
EP-0618902-A1 PROCESS FOR PRODUCING 4,5-DIAMINO PYRAZOLE DERIVATIVES, THEIR USE FOR COLOURING HAIR AND NOVEL PYRAZOLE DERIVATIVES Wella Aktiengesellschaft (DE) 1994-10-12 EP disclosed
WO-1994008969-A1 PROCESS FOR PRODUCING 4,5-DIAMINO PYRAZOLE DERIVATIVES, THEIR USE FOR COLOURING HAIR AND NOVEL PYRAZOLE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1994-04-28 WO disclosed