SCHEMBL9024147

SCHEMBL9024147

Nc1ccc(OC(F)F)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
MAPT P10636 7/20 0.44
GAA P10253 6/20 0.44
KDM4E B2RXH2 6/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CASP1 P29466 4/20 0.44
USP2 O75604 3/20 0.44
POLB P06746 2/20 0.44
HTT P42858 2/20 0.44
TP53 P04637 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.36
CYP3A4 P08684 1/20 0.33
THRB P10828 2/20 0.32
TSHR P16473 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 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
SCHEMBL3126016 0.84 GAA (0.41) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL24620479 0.83 GAA (0.38) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL31540259 0.81 ALDH1A1 (0.41) ALDH1A1GAAKMT2AHTTSMN1; SMN2
SCHEMBL11074707 0.81 MEN1 (0.44) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL11049484 0.81 KMT2A (0.40) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL10498357 0.80 ALDH1A1 (0.40) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL2719974 0.79 ALDH1A1 (0.59) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL8161640 0.79 GAA (0.39) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL1470373 0.79 ALDH1A1 (0.46) ALDH1A1MAPTGAAKDM4EMEN1
Hydrochloric Acid SCHEMBL11068575 0.79 MEN1 (0.47) ALDH1A1MAPTGAAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0485544-B1 OXIDATIVE HAIR DYE CONTAINING 3-AMINOPHENOL DERIVATIVES, PROCESS FOR OXIDATIVE DYEING OF HAIR AND NEW 3-AMINOPHENOL DERIVATIVES WELLA AG (DE) 1996-10-16 EP disclosed
US-5409503-A High color intensity red shades WELLA AKTIENGESELLSCHAFT (DE) 1995-04-25 US disclosed
EP-0485544-A1 OXIDATIVE HAIR DYE CONTAINING 3-AMINOPHENOL DERIVATIVES, PROCESS FOR OXIDATIVE DYEING OF HAIR AND NEW 3-AMINOPHENOL DERIVATIVES. WELLA AG (DE) 1992-05-20 EP disclosed
WO-1991018583-A1 OXIDATIVE HAIR DYE CONTAINING 3-AMINOPHENOL DERIVATIVES, PROCESS FOR OXIDATIVE DYEING OF HAIR AND NEW 3-AMINOPHENOL DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1991-12-12 WO disclosed