SCHEMBL9823345

SCHEMBL9823345

C#CCNc1ccc([N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 1.00
ALDH1A1 P00352 2/20 0.55
HSD17B10 Q99714 2/20 0.55
RECQL P46063 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
GLA P06280 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PYCR1 P32322 1/20 0.49
PTPRF P10586 1/20 0.49
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN11 Q06124 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL11124580 0.83 MAPT (0.71) MAPTALDH1A1HSD17B10RECQLCA1
SCHEMBL5516694 0.81 MAPT (0.69) MAPTALDH1A1HSD17B10RECQLCA2
SCHEMBL570831 0.79 MAPT (1.00) MAPTALDH1A1HSD17B10RECQLGLA
SCHEMBL4955548 0.78 MAPT (0.70) MAPTALDH1A1HSD17B10RECQLCA1
SCHEMBL9003269 0.78 MAPT (0.70) MAPTALDH1A1HSD17B10RECQLGLA
Bromide SCHEMBL28010281 0.77 MAPT (0.96) MAPTALDH1A1HSD17B10RECQLGLA
Hydrochloric Acid SCHEMBL1405413 0.77 MAPT (0.96) MAPTALDH1A1HSD17B10RECQLGLA
SCHEMBL10489391 0.76 MAPT (0.72) MAPTALDH1A1HSD17B10RECQLGLA
SCHEMBL21776756 0.75 MAPT (0.60) MAPTCA12CA1CA2SMN1; SMN2
SCHEMBL10900746 0.75 MAPT (0.61) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023148481-A1 SMO MODULATOR COMPOUNDS Omass Therapeutics Limited (GB) 2023-08-10 WO disclosed
EP-0426666-A1 SUBSTITUTED QUINAZOLINONES AS ANTICANCER AGENTS WARNER-LAMBERT COMPANY (US) 1991-05-15 EP disclosed
EP-0365763-A1 Antiproliferative cyclic compounds AGOURON PHARMACEUTICALS, INC. (US) 1990-05-02 EP disclosed
US-4857530-A THYMIDYLATE SYNTHASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-08-15 US disclosed
EP-0316657-A1 Substituted quinazolinones as anticancer agents WARNER-LAMBERT COMPANY (US) 1989-05-24 EP disclosed
WO-1989004307-A1 SUBSTITUTED QUINAZOLINONES AS ANTICANCER AGENTS WARNER-LAMBERT COMPANY (US) 1989-05-18 WO disclosed
US-4051177-A PROCESS FOR THE PREPARATION OF UNSATURATED AMINO COMPOUNDS BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-4002673-A GROUP VIII METAL SULFIDE AS HYDROGENATION CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1977-01-11 US disclosed