SCHEMBL31401040

SCHEMBL31401040

Brc1cc2c(c(-c3ccncc3)c1)OCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.37
CYP11B2 P19099 3/20 0.36
CYP19A1 P11511 2/20 0.36
CYP11B1 P15538 2/20 0.36
IMPDH2 P12268 1/20 0.35
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
XDH P47989 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
GCGR P47871 1/20 0.31
MAPK14 Q16539 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
CYP3A4 P08684 1/20 0.31
S1PR1 P21453 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
SCHEMBL612479 1.00 PDE4B (0.37) PDE4BCYP11B2CYP19A1CYP11B1IMPDH2
SCHEMBL29677390 0.76 PDE4B (0.34) PDE4BCYP11B2MAPTCYP3A4
SCHEMBL31401569 0.76 PARP1 (0.44) PDE4BCYP11B2CYP19A1CYP11B1PRF1
SCHEMBL17491545 0.73 GAA (0.39) IMPDH2MAPTNPSR1RXFP1PDE3A
SCHEMBL31401489 0.73 PDE4B (0.34) PDE4BPDE3BPDE3A
SCHEMBL30820691 0.72 PDE4B (0.32) PDE4BMAPTCYP3A4
SCHEMBL153211 0.70 AHR (0.45) MAPTNPSR1RXFP1CYP3A4
SCHEMBL1528469 0.69 MAPT (0.53) MAPTNPSR1HTTSMN1; SMN2NPC1
SCHEMBL14764355 0.68 KDM4E (0.46) MAPTHTTSMN1; SMN2NPC1RAB9A
SCHEMBL17165397 0.68 PARP1 (0.37) PDE4B

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 2 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