SCHEMBL30890883

SCHEMBL30890883

Cc1nc([N+](=O)[O-])ccc1Oc1ccnc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 5/20 0.39
▸ S1PR4 O95977 7/20 0.36
▸ MAPT P10636 2/20 0.35
▸ GFER P55789 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ PIN1 Q13526 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL16029255 1.00 TGFBR1 (0.39) TGFBR1S1PR4MAPTGFERLMNA
SCHEMBL25248350 0.85 TGFBR1 (0.39) TGFBR1S1PR4MAPTLMNAHPGD
SCHEMBL30086838 0.85 TGFBR1 (0.39) TGFBR1S1PR4MAPTLMNAHPGD
SCHEMBL16028590 0.84 S1PR4 (0.36) S1PR4MAPTLMNAHPGDNPC1
SCHEMBL21426336 0.82 TGFBR1 (0.47) TGFBR1
SCHEMBL16028902 0.81 TGFBR1 (0.40) TGFBR1MAPTLMNAHPGDMEN1
SCHEMBL16028695 0.81 PIN1 (0.33) S1PR4MAPTGFERLMNAPIN1
SCHEMBL21772047 0.80 CSF1R (0.52) TGFBR1
SCHEMBL21425579 0.80 TGFBR1 (0.45) TGFBR1
SCHEMBL16036508 0.80 TGFBR1 (0.45) TGFBR1MAPTHPGDNPC1SMN1; SMN2

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
EP-3632907-B1 N-(AZAARYL)CYCLOLACTAM-1-CARBOXAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF ABBISKO THERAPEUTICS CO LTD (CN) 2024-02-28 — — EP disclosed
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