SCHEMBL19403602

SCHEMBL19403602

Nc1ccc(C2=NNNN2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
CYP3A4 P08684 3/20 0.42
TP53 P04637 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 3/20 0.36
TAAR1 Q96RJ0 1/20 0.36
NPC1 O15118 7/20 0.35
RAB9A P51151 7/20 0.35
METAP2 P50579 1/20 0.35
ASIC3 Q9UHC3 1/20 0.35
KMT2A Q03164 6/20 0.35
MAPT P10636 5/20 0.35
MEN1 O00255 5/20 0.35
KDM4E B2RXH2 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
HPGD P15428 3/20 0.34
LMNA P02545 2/20 0.34
USP2 O75604 1/20 0.34
ALOX12 P18054 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL15996813 0.78 ALDH1A1 (0.36) ALDH1A1CYP3A4TP53NPC1RAB9A
SCHEMBL13977601 0.72 ALDH1A1 (0.50) ALDH1A1CYP3A4TP53TDP1HSD17B10
SCHEMBL17690236 0.70 P2RY6 (0.40) HSD17B10AGTR1AGTR2
Benzidine SCHEMBL5140469 0.63 CYP3A4 (1.00) ALDH1A1CYP3A4TP53TDP1HSD17B10
Benzidine SCHEMBL29021 0.63 CYP3A4 (1.00) ALDH1A1CYP3A4TP53TDP1HSD17B10
Benzidine SCHEMBL720393 0.63 CYP3A4 (1.00) ALDH1A1CYP3A4TP53TDP1HSD17B10
SCHEMBL258287 0.63 CYP3A4 (1.00) ALDH1A1CYP3A4TP53TDP1HSD17B10
SCHEMBL2024128 0.63 CYP3A4 (1.00) ALDH1A1CYP3A4TP53TDP1HSD17B10
Benzidine SCHEMBL25274606 0.60 CYP3A4 (0.92) ALDH1A1CYP3A4TP53TDP1HSD17B10
Benzidine SCHEMBL9067542 0.60 CYP3A4 (0.92) ALDH1A1CYP3A4TP53TDP1HSD17B10

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-3256461-B1 UREA AND SULFONAMIDE DERIVATIVES AS HUMAN HELICASE DDX3 INHIBITORS USEFUL IN THE TREATMENT OF VIRAL DISEASES AZIENDA OSPEDALIERA UNIV SENESE (IT) 2023-09-13 EP disclosed
EP-3432881-B1 USE OF DDX3 INHIBITORS AS ANTIPROLIFERATIVE AGENTS AZIENDA OSPEDALIERA UNIV SENESE (IT) 2021-11-24 EP disclosed
WO-2017162834-A1 USE OF DDX3 INHIBITORS AS ANTIPROLIFERATIVE AGENTS AZIENDA OSPEDALIERA UNIVERSITARIA SENESE (IT) 2017-09-28 WO disclosed