SCHEMBL24717110

SCHEMBL24717110

CC1=CCCN(C(=O)N(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.37
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
KIF11 P52732 1/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 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
SCHEMBL14197793 0.79 NOTUM (0.43) KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL25146433 0.78 CHRNB2 (0.35) MAPTALDH1A1TSHRNPSR1PKM
SCHEMBL18129723 0.77 RYR2 (0.34) ALDH1A1NPSR1
SCHEMBL12883921 0.74 LMNA (0.42) KMT2AMAPTALDH1A1TSHRKIF11
SCHEMBL25802121 0.73 ESR1 (0.42)
SCHEMBL19981883 0.73 DPP4 (0.44)
SCHEMBL2251926 0.71 MAPT (0.48) KMT2AMAPTALDH1A1TSHRMEN1
SCHEMBL16809856 0.70 MAPT (0.41) KMT2AMAPTALDH1A1TSHRCCNT1
SCHEMBL12519920 0.70 ESR2 (0.47) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL10142910 0.69 MAPT (0.39) KMT2AMAPTALDH1A1TSHRKIF11

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-2022257894-A1 P300 INHIBITOR AND PHARMACEUTICAL USE THEREOF 贝达药业股份有限公司 2022-12-15 WO disclosed