SCHEMBL24076112

SCHEMBL24076112

Cn1nccc1C(=O)NCC1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MMP13 P45452 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MLYCD O95822 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NAMPT P43490 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL24072345 0.99 KMT2A (0.61) KMT2AL3MBTL1TAS1R3TAS1R1TAS1R2
SCHEMBL22338792 0.99 KMT2A (0.61) KMT2AL3MBTL1TAS1R3TAS1R1TAS1R2
SCHEMBL15950981 0.94 KMT2A (0.60) KMT2AL3MBTL1TAS1R3TAS1R1TAS1R2
SCHEMBL24072833 0.89 KMT2A (0.55) KMT2AL3MBTL1TAS1R3TAS1R1TAS1R2
SCHEMBL24075451 0.89 KMT2A (0.55) KMT2AL3MBTL1TAS1R3TAS1R1TAS1R2
SCHEMBL24076481 0.87 KMT2A (0.52) KMT2AL3MBTL1TAS1R3TAS1R1TAS1R2
SCHEMBL24076088 0.85 KMT2A (0.51) KMT2AL3MBTL1RAB9A
SCHEMBL24071904 0.82 KMT2A (0.55) KMT2AL3MBTL1RAB9ANPC1ALDH1A1
SCHEMBL22304112 0.82 KMT2A (0.55) KMT2AL3MBTL1RAB9ANPC1ALDH1A1
SCHEMBL7523489 0.81 KMT2A (0.60) KMT2AL3MBTL1RAB9ANPC1CYP1A2

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-2021239743-A1 IL-17A MODULATORS SANOFI (FR) 2021-12-02 WO disclosed