SCHEMBL28476129

SCHEMBL28476129

Cc1nccn1CCN(CCn1ccnc1C)C(=O)CCCCC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
FDPS P14324 1/20 0.43
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALPL P05186 2/20 0.36
ALPG P10696 2/20 0.36
ALPI P09923 1/20 0.36
PLAA Q9Y263 1/20 0.36
NAMPT P43490 1/20 0.35
GFER P55789 1/20 0.35
ARG1 P05089 1/20 0.35
NOS1 P29475 1/20 0.34

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
SCHEMBL23174678 0.83 ALDH1A1 (0.49) ALDH1A1KMT2APOLBCA12CA1
SCHEMBL1178451 0.81 KMT2A (0.56) ALDH1A1KMT2APOLBCA12CA1
SCHEMBL25318677 0.78 ALDH1A1 (0.52) ALDH1A1KMT2APOLBCA12CA1
SCHEMBL22472000 0.76 KMT2A (0.49) ALDH1A1KMT2APOLBCA12CA1
SCHEMBL21495813 0.73 ALDH1A1 (0.45) ALDH1A1KMT2APOLBCA12CA1
SCHEMBL28476130 0.73 ALDH1A1 (0.45) ALDH1A1KMT2APOLBCA12CA1
SCHEMBL1179644 0.71 ALPL (0.53) ALDH1A1KMT2APOLBCA12CA1
Hydrochloric Acid SCHEMBL3122278 0.70 ALDH1A1 (0.56) ALDH1A1KMT2APOLBCA12CA1
SCHEMBL4298077 0.70 KMT2A (0.57) ALDH1A1KMT2APOLBCA12CA1
SCHEMBL992745 0.70 SMN1; SMN2 (0.61) ALDH1A1KMT2APOLBCA12CA1

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-111868149-A Fast curing resin formulation with consistent processing characteristics 塞特工业公司 2020-10-30 CN disclosed