SCHEMBL31497264

SCHEMBL31497264

C=CCNc1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
CA12 O43570 2/20 0.55
CA4 P22748 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA14 Q9ULX7 2/20 0.55
CA3 P07451 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55
CA5B Q9Y2D0 1/20 0.55
ALDH1A1 P00352 10/20 0.53
HSD17B10 Q99714 4/20 0.53
TSHR P16473 3/20 0.53
RECQL P46063 1/20 0.53
KDM4E B2RXH2 7/20 0.50
HPGD P15428 6/20 0.50
MAPT P10636 5/20 0.50
GAA P10253 5/20 0.50
ALOX12 P18054 2/20 0.50

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
SCHEMBL896623 1.00 KMT2A (0.59) KMT2AMEN1CA12CA4CA7
SCHEMBL461067 0.90 KMT2A (0.50) KMT2AMEN1CA12CA4CA7
SCHEMBL9157046 0.88 KMT2A (0.45) KMT2AMEN1CA12CA4CA7
SCHEMBL28058086 0.84 ALDH1A1 (0.46) KMT2AMEN1CA12CA4CA7
SCHEMBL11805389 0.82 NPC1 (0.53) KMT2AMEN1CA12CA4CA7
SCHEMBL25080354 0.81 CA12 (0.61) KMT2AMEN1CA12CA4CA7
SCHEMBL4784858 0.81 ALDH1A1 (0.44) KMT2AMEN1CA12CA9CA14
SCHEMBL19119670 0.81 CA12 (0.55) KMT2AMEN1CA12CA4CA7
SCHEMBL8944898 0.80 KMT2A (0.42) KMT2AMEN1CA12CA9CA14
SCHEMBL10865574 0.80 KMT2A (0.47) KMT2AMEN1ALDH1A1HSD17B10TSHR

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
CN-119798090-A Palladium-catalyzed synthesis method of N-monoallylamine derivative 深圳职业技术大学 2025-04-11 CN disclosed