SCHEMBL29548484

SCHEMBL29548484

CC1CNc2ncc3ccccc3c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
GPR3 P46089 1/20 0.39
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
MAPKAPK2 P49137 7/20 0.35
CYP2A6 P11509 1/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
MEN1 O00255 2/20 0.33
MAPK1 P28482 3/20 0.33
PRKCI P41743 3/20 0.33
HSD17B10 Q99714 2/20 0.33
PARP1 P09874 1/20 0.33
PDE4B Q07343 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAP2K1 Q02750 1/20 0.32
PRKD3 O94806 2/20 0.32

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
SCHEMBL22798586 1.00 KDM4E (0.39) KDM4EGPR3KMT2ALMNAMAPKAPK2
SCHEMBL10923189 0.77 TP53 (0.39) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL12527287 0.66 GPR3 (0.41) KDM4EGPR3KMT2ALMNACYP2A6
SCHEMBL22744271 0.64 KDM4E (0.33) KDM4EGPR3KMT2ALMNAALDH1A1
SCHEMBL12962903 0.64 KDM4E (0.36) KDM4EGPR3ALDH1A1MAPK1PRKCI
SCHEMBL7914307 0.63 CA1 (0.36)
SCHEMBL12490689 0.63 KDM4E (0.42) KDM4EGPR3KMT2ALMNAMAPKAPK2
SCHEMBL13199592 0.63 CA1 (0.36)
SCHEMBL20465820 0.62 KDM4E (0.38) KDM4EGPR3KMT2ALMNACYP2A6
SCHEMBL18959589 0.62 KDM4E (0.38) KDM4EGPR3KMT2ALMNACYP2A6

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-3986865-A1 NEW TRICYCLIC 5-HT2 ANTAGONISTS AnaMar AB (SE) 2022-04-27 EP disclosed