SCHEMBL31445352

SCHEMBL31445352

Cc1ccc(OCCN)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
KDM1A O60341 1/20 0.37
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
HTR1B P28222 1/20 0.35
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
LTA4H P09960 1/20 0.33
PLA2G2A P14555 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL18202622 0.87 KDM4E (0.52) KDM4ERAB9ANPC1RECQLTAAR1
SCHEMBL19624156 0.80 LMNA (0.41) RAB9ANPC1RECQLKDM1ALMNA
SCHEMBL18034939 0.77 NPC1 (0.50) RAB9ANPC1RECQLLMNAHDAC6
SCHEMBL7713782 0.77 NPC1 (0.40) KDM4ERAB9ANPC1RECQLKDM1A
SCHEMBL13402952 0.77 HTR7 (0.47) KDM4EHTR1BLTA4H
SCHEMBL29761634 0.77 HTT (0.46) RAB9ANPC1RECQLLMNAALDH1A1
SCHEMBL13576998 0.77 HTT (0.46) RAB9ANPC1RECQLLMNAALDH1A1
SCHEMBL10809447 0.76 KDM4E (0.42) KDM4ERAB9ATAAR1ALDH1A1HTR1B
SCHEMBL20173484 0.76 KDM4E (0.42) KDM4ERAB9ATAAR1HTR1BTP53
SCHEMBL18291647 0.76 HTR1B (0.46) KDM4ERAB9ANPC1RECQLKDM1A

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
WO-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed