SCHEMBL11627488

SCHEMBL11627488

O=C(NCc1ccccn1)c1ccccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 1.00
ALDH1A1 P00352 2/20 1.00
POLB P06746 2/20 0.74
RAB9A P51151 3/20 0.71
LMNA P02545 2/20 0.66
HTT P42858 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.64
KMT2A Q03164 2/20 0.62
KDM4E B2RXH2 1/20 0.60
NPC1 O15118 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
MEN1 O00255 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL11887850 0.86 HPGD (1.00) HPGDALDH1A1POLBRAB9ALMNA
SCHEMBL30171601 0.84 HPGD (0.77) HPGDALDH1A1POLBRAB9ALMNA
SCHEMBL18150175 0.84 HPGD (0.71) HPGDALDH1A1POLBRAB9ALMNA
SCHEMBL11829949 0.83 LMNA (0.72) HPGDALDH1A1POLBRAB9ALMNA
SCHEMBL9202857 0.83 HPGD (0.71) HPGDALDH1A1POLBRAB9ALMNA
SCHEMBL3771459 0.83 ALDH1A1 (0.70) HPGDALDH1A1POLBRAB9ALMNA
SCHEMBL26598747 0.82 HPGD (0.70) HPGDALDH1A1POLBRAB9ALMNA
SCHEMBL30606093 0.82 HPGD (0.70) HPGDALDH1A1POLBRAB9ALMNA
SCHEMBL7220820 0.82 HPGD (0.69) HPGDALDH1A1POLBRAB9ALMNA
SCHEMBL6382378 0.82 HPGD (0.69) HPGDALDH1A1POLBRAB9ALMNA

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-4069224-A N-(PYRIDYLALKYL)BENZAMIDES, IMPROVE PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-01-17 US claimed
US-4069224-A N-(PYRIDYLALKYL)BENZAMIDES, IMPROVE PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-01-17 US disclosed