SCHEMBL7723429

SCHEMBL7723429

O=C(Br)Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.59
PTPN1 P18031 1/20 0.55
ALDH1A1 P00352 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 2/20 0.53
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
SIGMAR1 Q99720 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL11362791 0.84 TSHR (0.61) TSHRALDH1A1SMN1; SMN2LMNACES2
SCHEMBL296300 0.84 TSHR (0.61) TSHRALDH1A1SMN1; SMN2LMNACES2
SCHEMBL2651119 0.84 TSHR (0.61) TSHRALDH1A1SMN1; SMN2LMNACES2
SCHEMBL7733006 0.83 TRPV1 (0.56) TSHRALDH1A1SMN1; SMN2LMNACES2
SCHEMBL6275759 0.83 TSHR (0.56) TSHRALDH1A1SMN1; SMN2LMNACES2
SCHEMBL9911538 0.83 TSHR (0.56) TSHRPTPN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL48947 0.83 TSHR (0.59) TSHRALDH1A1SMN1; SMN2LMNACES2
SCHEMBL4685756 0.83 TSHR (0.59) TSHRALDH1A1SMN1; SMN2LMNACES2
SCHEMBL2082576 0.83 TSHR (0.59) TSHRALDH1A1SMN1; SMN2LMNACES2
SCHEMBL1694325 0.83 TSHR (0.59) TSHRALDH1A1SMN1; SMN2LMNACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6476266-B1 Diamino compound and production process for the same CHISSO CORPORATION (JP) 2002-11-05 US disclosed
US-4348395-A 1,4-Dihydropyridazine compounds BAYER AKTIENGESELLSCHAFT (DE) 1982-09-07 US disclosed
EP-0001439-B1 1-N-SUBSTITUTED 1.4-DIHYDROPYRIDAZINE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE FOR PHARMACEUTICALS BAYER AG (DE) 1981-01-28 EP disclosed
EP-0001439-A1 1-N-substituted 1.4-dihydropyridazine derivatives, method for their preparation and their use for pharmaceuticals BAYER AG (DE) 1979-04-18 EP disclosed