SCHEMBL7311399

SCHEMBL7311399

O=C(NCc1ccc(F)cc1)c1cccnc1Cl

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.70
POLB P06746 1/20 0.61
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
EGFR P00533 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.57
MAPT P10636 1/20 0.55
EGLN1 Q9GZT9 1/20 0.52
MT-CO2 P00403 1/20 0.52

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
SCHEMBL7171835 0.87 POLB (0.62) KMT2APOLBCYP1A2CYP2C19LMNA
SCHEMBL920392 0.87 NSD2 (0.66) KMT2APOLBLMNASMN1; SMN2ALDH1A1
SCHEMBL4501918 0.86 KMT2A (0.73) KMT2ACYP1A2CYP2C19LMNAHPGD
SCHEMBL1585174 0.85 POLB (0.64) KMT2APOLBLMNASMN1; SMN2ALDH1A1
SCHEMBL923044 0.83 KMT2A (0.70) KMT2ACYP1A2CYP2C19LMNAHPGD
SCHEMBL21261436 0.83 HPGD (0.70) KMT2APOLBLMNASMN1; SMN2ALDH1A1
SCHEMBL6905492 0.81 POLB (0.56) KMT2APOLBLMNASMN1; SMN2ALDH1A1
SCHEMBL2735040 0.80 KMT2A (0.87) KMT2APOLBCYP1A2CYP2C19LMNA
SCHEMBL15686619 0.80 KMT2A (0.70) KMT2ACYP1A2CYP2C19LMNASMN1; SMN2
SCHEMBL12505487 0.79 KMT2A (0.63) KMT2ACYP1A2CYP2C19LMNAALDH1A1

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-0357316-B1 ANTIDEPRESSANT N-SUBSTITUTED NICOTINAMIDE COMPOUNDS PFIZER INC. (US) 1993-04-14 EP disclosed
EP-0357316-A1 Antidepressant N-substituted nicotinamide compounds PFIZER INC. (US) 1990-03-07 EP disclosed
US-4861891-A Antidepressant N-substituted nicotinamide compounds PFIZER INC. (US) 1989-08-29 US disclosed