SCHEMBL30045266

SCHEMBL30045266

CC(C)(C)OC(=O)Nc1ccc(-c2nc3cc(N)ccc3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ TP53 P04637 2/20 0.51
▸ HPSE Q9Y251 5/20 0.50
▸ MAP4K4 O95819 1/20 0.49
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.45
▸ CACNA1B Q00975 1/20 0.45
▸ APBA1 Q02410 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ BAZ1A Q9NRL2 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ GAA P10253 1/20 0.44

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
SCHEMBL19739092 0.86 SMN1; SMN2 (0.50) MAPTSMN1; SMN2TP53HPSEKMT2A
SCHEMBL19739081 0.85 SMN1; SMN2 (0.43) MAPTSMN1; SMN2TP53HPSEMAP4K4
SCHEMBL19739152 0.85 SMN1; SMN2 (0.55) MAPTSMN1; SMN2TP53HPSEKDM4E
SCHEMBL5190823 0.84 KDM4E (0.53) MAPTSMN1; SMN2TP53HPSEKMT2A
SCHEMBL23999812 0.83 ALDH1A1 (0.62) MAPTSMN1; SMN2TP53HPSEKMT2A
SCHEMBL19739335 0.83 MMP2 (0.53) MAPTSMN1; SMN2TP53KMT2AMEN1
SCHEMBL19739136 0.82 HPSE (0.57) MAPTSMN1; SMN2TP53HPSEKMT2A
SCHEMBL4576964 0.81 LCK (0.53) MAPTSMN1; SMN2TP53MAP4K4KMT2A
SCHEMBL30045333 0.81 TP53 (0.47) MAPTSMN1; SMN2TP53HPSEKMT2A
SCHEMBL20982660 0.80 ALDH1A1 (0.59) MAPTSMN1; SMN2TP53HPSEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475284-B1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS INC (US) 2022-11-02 — — EP disclosed
Send feedback