SCHEMBL23778698

SCHEMBL23778698

O=C(O)NCCc1c[nH]c(-c2ccc(Cl)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.40
CXCR2 P25025 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
TYMP P19971 1/20 0.39
PBK Q96KB5 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
CNR1 P21554 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38
EGLN1 Q9GZT9 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
SCHEMBL23778650 0.88 MTNR1A (0.48) TP53MAPTSMN1; SMN2LMNACNR1
SCHEMBL23778729 0.86 CXCR2 (0.39) TP53MAPTSMN1; SMN2LMNACXCR2
SCHEMBL23778733 0.83 THRB (0.45) TP53MAPTSMN1; SMN2LMNAHPGD
SCHEMBL23778725 0.83 LMNA (0.45) MAPTSMN1; SMN2LMNAKDM4EHPGD
SCHEMBL23778661 0.82 SMN1; SMN2 (0.41) TP53MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL23778656 0.82 KDM4E (0.44) TP53MAPTSMN1; SMN2LMNAKDM4E
SCHEMBL23778670 0.82 TP53 (0.46) TP53MAPTSMN1; SMN2LMNAMEN1
SCHEMBL23778714 0.82 GSK3B (0.45) CXCR2HPGDCNR1POLB
SCHEMBL23778726 0.80 TYMP (0.46) MAPTKDM4EHPGDTYMPMEN1
SCHEMBL23778736 0.77 NOTUM (0.45) MAPTSMN1; SMN2CXCR2KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873890-A1 NOVEL IMIDAZOLE COMPOUNDS, PROCESS FOR THE SYNTHESIS AND USES THEREOF Ahammune Biosciences Private Limited (IN) 2021-09-08 EP disclosed