SCHEMBL10838404

SCHEMBL10838404

C=CCN(c1ccncc1)c1ccccc1C(=O)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ ADRA1A P35348 2/20 0.41
▸ ADRA1B P35368 2/20 0.41
▸ ADRA1D P25100 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CCR5 P51681 1/20 0.39
▸ GLA P06280 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
SCHEMBL10837645 0.86 HTT (0.45) KMT2AALDH1A1CYP2C9KDM4EHSD17B10
SCHEMBL10838466 0.84 HTT (0.43) KMT2AALDH1A1CYP2C9KDM4EHSD17B10
SCHEMBL10836959 0.79 HTT (0.48) KMT2AALDH1A1CYP2C9KDM4EHSD17B10
SCHEMBL3387202 0.70 ALDH1A1 (0.42) KMT2AALDH1A1KDM4EMEN1POLB
SCHEMBL10720608 0.67 TSHR (0.69) KMT2AALDH1A1KDM4EMEN1HTT
SCHEMBL10838011 0.66 LMNA (0.62) KMT2AALDH1A1CYP2C9KDM4EHSD17B10
Ofornine SCHEMBL30560632 0.66 LMNA (0.62) KMT2AALDH1A1CYP2C9KDM4EHSD17B10
SCHEMBL10838059 0.66 LMNA (0.62) KMT2AALDH1A1CYP2C9KDM4EHSD17B10
Ofornine SCHEMBL120272 0.66 LMNA (0.62) KMT2AALDH1A1CYP2C9KDM4EHSD17B10
SCHEMBL6045903 0.65 HPGD (0.76) KMT2AALDH1A1KDM4EMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4610991-A Antihypertensive pyridylaminobenzamide compounds STERLING DRUG INC. (US) 1986-09-09 — — US disclosed
EP-0098951-A2 Aminobenzamide derivatives and preparation thereof STERLING DRUG INC. (US) 1984-01-25 — — EP disclosed
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