SCHEMBL29410396

SCHEMBL29410396

COc1cccc(NC(=O)[C@H](N)CN)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
TSHR P16473 2/20 0.59
MTNR1B P49286 1/20 0.56
TP53 P04637 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 2/20 0.54
NLRP3 Q96P20 1/20 0.54
PKM P14618 1/20 0.54
KMT2A Q03164 1/20 0.54
HPGD P15428 2/20 0.53
USP2 O75604 1/20 0.53

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
SCHEMBL28712746 1.00 ALDH1A1 (0.59) ALDH1A1TSHRMTNR1BTP53RXFP1
SCHEMBL2308107 0.89 ALDH1A1 (0.59) ALDH1A1TSHRMTNR1BTP53RXFP1
SCHEMBL7141120 0.86 TSHR (0.60) ALDH1A1TSHRMTNR1BTP53NPC1
SCHEMBL7141131 0.86 TSHR (0.60) ALDH1A1TSHRMTNR1BTP53NPC1
SCHEMBL21880164 0.84 RAB9A (0.67) ALDH1A1TSHRMTNR1BLMNANPC1
SCHEMBL30453904 0.84 RAB9A (0.67) ALDH1A1TSHRMTNR1BLMNANPC1
SCHEMBL11645404 0.84 MTNR1B (0.63) ALDH1A1TSHRMTNR1BSMN1; SMN2NPC1
SCHEMBL21880165 0.84 RAB9A (0.67) ALDH1A1TSHRMTNR1BLMNANPC1
SCHEMBL27877588 0.84 RAB9A (0.67) ALDH1A1TSHRMTNR1BLMNANPC1
SCHEMBL28716691 0.82 ALDH1A1 (0.59) ALDH1A1TP53SMN1; SMN2L3MBTL1NPC1

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-110903341-B Progesterone-pyrazine amide compound, preparation method and anticancer application thereof 西北农林科技大学 2022-03-15 CN disclosed