SCHEMBL30718482

SCHEMBL30718482

O=C(Cc1ccccc1)N[C@H]1CCNC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.62
KDM1A O60341 1/20 0.59
SIGMAR1 Q99720 7/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
ME3 Q16798 1/20 0.50
OPRM1 P35372 1/20 0.49
OPRL1 P41146 1/20 0.49
MAPT P10636 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
SCHEMBL15055182 1.00 EPHX2 (0.62) EPHX2KDM1ASIGMAR1MEN1KMT2A
SCHEMBL34468338 1.00 EPHX2 (0.62) EPHX2KDM1ASIGMAR1MEN1KMT2A
SCHEMBL34468288 0.91 ALDH1A1 (0.68) EPHX2KDM1ASIGMAR1MEN1KMT2A
SCHEMBL5801183 0.91 EPHX2 (0.72) EPHX2KDM1ASIGMAR1MEN1KMT2A
SCHEMBL4693545 0.90 EPHX2 (0.71) EPHX2SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL24342370 0.87 EPHX2 (0.65) EPHX2SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL34468348 0.85 SIGMAR1 (0.52) KDM1ASIGMAR1MEN1KMT2AALDH1A1
SCHEMBL34468354 0.85 SIGMAR1 (0.52) EPHX2KDM1ASIGMAR1MEN1KMT2A
SCHEMBL15054874 0.85 SIGMAR1 (0.52) KDM1ASIGMAR1MEN1KMT2AALDH1A1
SCHEMBL21626178 0.84 KDM1A (0.49) EPHX2KDM1AMEN1KMT2AALDH1A1

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-4547247-A2 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF Dana-Farber Cancer Institute, Inc. (US) 2025-05-07 EP disclosed
WO-2024006956-A9 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-04-11 WO disclosed
WO-2024006956-A2 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-01-04 WO disclosed