SCHEMBL30041544

SCHEMBL30041544

C[C@]1(C#N)COCc2ccc(C(=O)O)cc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
RARB P10826 10/20 0.38
RARG P13631 9/20 0.38
RARA P10276 8/20 0.38
CYP26A1 O43174 2/20 0.38
CYP26B1 Q9NR63 1/20 0.38
RXRA P19793 7/20 0.38
RXRB P28702 5/20 0.38
RXRG P48443 3/20 0.38
ALDH1A1 P00352 1/20 0.37
KDM1A O60341 1/20 0.36
CYP3A4 P08684 1/20 0.35
CRABP2 P29373 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TDP2 O95551 1/20 0.35

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
SCHEMBL30041233 1.00 CA12 (0.38) CA12CA1CA2CA4CA9
SCHEMBL23704795 1.00 CA12 (0.38) CA12CA1CA2CA4CA9
SCHEMBL31396317 1.00 CA12 (0.38) CA12CA1CA2CA4CA9
SCHEMBL23706097 1.00 CA12 (0.38) CA12CA1CA2CA4CA9
SCHEMBL31396120 1.00 CA12 (0.38) CA12CA1CA2CA4CA9
SCHEMBL23705080 1.00 CA12 (0.38) CA12CA1CA2CA4CA9
SCHEMBL23714588 0.89 NPC1 (0.41) CA1CA2RARBRARGRARA
SCHEMBL30041183 0.88 KDM1A (0.38) ALDH1A1KDM1A
SCHEMBL23714754 0.86 RARA (0.31) RARBRARGRARARXRARXRB
SCHEMBL23714701 0.86 CA12 (0.38) CA12CA1CA2CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739684-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS Janssen Pharmaceutica NV (BE) 2026-05-13 EP disclosed
WO-2025008060-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS JANSSEN PHARMACEUTICA NV (BE) 2025-01-09 WO disclosed
CN-115297861-A Compound and use thereof 福宏治疗公司 2022-11-04 CN disclosed