SCHEMBL23320561

SCHEMBL23320561

COCCn1c(-c2ccccc2)cc2cc(N(Cc3ccncc3)C(N)=O)ccc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GRIK1 P39086 1/20 0.38
▸ GRIK2 Q13002 1/20 0.38
▸ CACNA1B Q00975 1/20 0.37
▸ MTNR1A P48039 2/20 0.37
▸ MTNR1B P49286 2/20 0.37
▸ HPGD P15428 2/20 0.36
▸ QPCT Q16769 1/20 0.36
▸ PTGER4 P35408 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 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
SCHEMBL23320493 0.91 ALDH1A1 (0.38) ALDH1A1L3MBTL1LMNATDP1GRIK1
SCHEMBL23320491 0.83 ALDH1A1 (0.38) ALDH1A1LMNATDP1GRIK1GRIK2
SCHEMBL23320475 0.77 CYP19A1 (0.40) MAPT
SCHEMBL23320543 0.76 PTGES2 (0.36) —
SCHEMBL23320498 0.76 KCNA5 (0.37) L3MBTL1QPCTPOLBMAPT
SCHEMBL24042574 0.74 NAMPT (0.54) —
SCHEMBL30943269 0.74 NAMPT (0.54) —
SCHEMBL23320485 0.73 CHEK1 (0.37) POLB
SCHEMBL976929 0.72 PTGER4 (0.53) ALDH1A1GRIK1GRIK2MTNR1AMTNR1B
SCHEMBL21812459 0.70 AAK1 (0.51) ALDH1A1L3MBTL1KDM4ELMNATDP1

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-3818053-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-05-12 — — EP claimed
EP-3818053-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-05-12 — — EP disclosed
Send feedback