SCHEMBL28630788

SCHEMBL28630788

NC1CCCN(C(=O)Cc2cccs2)C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HSD17B10 Q99714 2/20 0.52
HTT P42858 1/20 0.51
LMNA P02545 3/20 0.48
TSHR P16473 3/20 0.48
USP2 O75604 1/20 0.48
MAPT P10636 3/20 0.47
PKM P14618 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
CASP1 P29466 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GFER P55789 1/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL7241560 0.85 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL7232704 0.85 MAPT (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL6794958 0.83 MAPT (0.58) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL7233482 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL7232816 0.83 MAPT (0.58) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL7238470 0.82 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL7233063 0.82 MAPT (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
Ammonia Solution, Strong SCHEMBL7239598 0.82 MAPT (0.57) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL7238463 0.82 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
Ammonia Solution, Strong SCHEMBL7239595 0.82 MAPT (0.57) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113135918-B Pyrazolo [1,2] diaza compounds 鲁南制药集团股份有限公司 2023-08-11 CN disclosed
CN-113135918-A Pyrazolo [1,2] diazepine compound 鲁南制药集团股份有限公司 2021-07-20 CN disclosed