SCHEMBL29664762

SCHEMBL29664762

COc1cc(C(=O)O)ccc1-n1cnc(C)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 19/20 0.62
PSEN2 P49810 19/20 0.62
APH1B Q8WW43 19/20 0.62
NCSTN Q92542 19/20 0.62
APH1A Q96BI3 19/20 0.62
PSENEN Q9NZ42 19/20 0.62
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
TPMT P51580 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
KCNH2 Q12809 1/20 0.49

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
SCHEMBL156019 1.00 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL759650 0.99 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28908399 0.90 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12073705 0.89 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL758927 0.88 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL151407 0.88 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6914632 0.88 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29940286 0.87 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20646842 0.86 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20646844 0.86 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739682-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-2025008058-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-111386118-B Combination pharmaceutical agents as RSV inhibitors 英安塔制药有限公司 2023-05-09 CN disclosed
CN-108200760-B Benzodiazepine derivatives as RSV inhibitors 英安塔制药有限公司 2022-04-01 CN disclosed