SCHEMBL29168197

SCHEMBL29168197

NC(=O)O[C@@H](Cc1ccccc1Cl)c1ccn(C(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.36
▸ MAP3K14 Q99558 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ AVPR2 P30518 3/20 0.35
▸ AVPR1A P37288 3/20 0.35
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ PYGL P06737 1/20 0.33
▸ PYGM P11217 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ DPP4 P27487 2/20 0.32
▸ FAP Q12884 1/20 0.31
▸ DPP8 Q6V1X1 1/20 0.31
▸ DPP9 Q86TI2 1/20 0.31
▸ PKM P14618 1/20 0.31

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
SCHEMBL29168198 1.00 LMNA (0.36) LMNAMAP3K14NPC1RAB9AMEN1
SCHEMBL29168232 0.83 SMN1; SMN2 (0.36) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL29168179 0.81 KDM4E (0.39) LMNAMEN1KMT2APYGLPYGM
SCHEMBL29168176 0.81 KDM4E (0.39) LMNAMEN1KMT2APYGLPYGM
SCHEMBL29168293 0.80 SLC6A2 (0.36) RAB9AMEN1KMT2AGAAALDH1A1
SCHEMBL29168291 0.80 SLC6A2 (0.36) RAB9AMEN1KMT2AGAAALDH1A1
SCHEMBL29168161 0.78 — —
SCHEMBL29168159 0.78 — —
SCHEMBL29168183 0.75 PPARG (0.38) LMNAMAP3K14NPC1RAB9APPARG
SCHEMBL29168184 0.75 PPARG (0.38) LMNAMAP3K14NPC1RAB9APPARG

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-117529476-A Preparation of substituted 1, 2-diamino heterocyclic derivatives and their use as medicaments 亚飞络思制药公司 2024-02-06 — — CN disclosed
Send feedback