SCHEMBL10874142

SCHEMBL10874142

CCCCOc1ccc(NC(C)=O)cc1NC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
RECQL P46063 2/20 0.54
HPGD P15428 1/20 0.54
RORC P51449 1/20 0.54
ALDH1A1 P00352 2/20 0.53
FAAH O00519 1/20 0.52
MAPT P10636 4/20 0.50
LMNA P02545 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 2/20 0.50
MEN1 O00255 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPK1 P28482 1/20 0.49

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
SCHEMBL10872909 0.93 MAPT (0.58) TDP1RECQLRORCALDH1A1MAPT
SCHEMBL10874979 0.86 TDP1 (0.70) TDP1RECQLHPGDRORCALDH1A1
SCHEMBL9795781 0.85 ALDH1A1 (0.53) TDP1RECQLHPGDRORCALDH1A1
SCHEMBL10876354 0.84 TDP1 (0.76) TDP1RECQLHPGDRORCALDH1A1
SCHEMBL6152534 0.83 HRH3 (0.55) TDP1RECQLRORCALDH1A1LMNA
SCHEMBL11582978 0.83 EPHX1 (0.52) FAAHLMNACYP1A2SMN1; SMN2CYP2C9
SCHEMBL8484560 0.83 EPHX1 (0.52) FAAHLMNACYP1A2SMN1; SMN2CYP2C9
Hydrochloric Acid SCHEMBL10873126 0.83 TDP1 (0.74) TDP1RECQLHPGDRORCALDH1A1
SCHEMBL6157997 0.82 ALDH1A1 (0.48) TDP1RECQLRORCALDH1A1MAPT
SCHEMBL13637511 0.82 TDP1 (0.62) TDP1RECQLHPGDRORCALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0142788-B1 PROCESS FOR THE PREPARATION OF PURE 3-ACETYLAMINO-ANILINE HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-24 EP disclosed
US-4540815-A Process for the preparation of pure 3-acetylamino-anilines HOECHST AKTIENGESELLSCHAFT (DE) 1985-09-10 US disclosed
EP-0142788-A1 Process for the preparation of pure 3-acetylamino-aniline HOECHST AKTIENGESELLSCHAFT (DE) 1985-05-29 EP disclosed