SCHEMBL8305027

SCHEMBL8305027

C=CC#CCn1nc(-c2ccc(Cl)cc2)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 2/20 0.45
POLB P06746 2/20 0.44
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL13649495 0.85 POLB (0.35) TSHRMEN1KMT2AMAPTTP53
SCHEMBL8299027 0.83 MAPT (0.42) TSHRMEN1KMT2AMAPTTP53
SCHEMBL5493053 0.81 TSHR (0.50) TSHRMEN1KMT2AMAPTTP53
SCHEMBL5493675 0.81 TSHR (0.56) TSHRMEN1KMT2AMAPTTP53
SCHEMBL8442721 0.79 TSHR (0.48) TSHRMEN1KMT2AMAPTTP53
SCHEMBL5497539 0.75 MEN1 (0.54) TSHRMEN1KMT2AMAPTPOLB
SCHEMBL23297284 0.74 MEN1 (0.60) TSHRMEN1KMT2AMAPTTP53
SCHEMBL23297286 0.71 POLB (0.63) TSHRMEN1KMT2AMAPTTP53
SCHEMBL25969306 0.70 TSHR (0.66) TSHRMEN1KMT2AMAPTTP53
SCHEMBL23297339 0.69 MEN1 (0.57) TSHRMEN1KMT2AMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5855654-A APPLYING (DIHYDRO)PYRIDAZINONE COMPOUND ROHM AND HAAS COMPANY (US) 1999-01-05 US claimed
EP-0856255-A2 Pyridazinones as marine antifouling agents ROHM AND HAAS COMPANY (US) 1998-08-05 EP claimed
EP-0478195-B1 Dihydropyridazinones and pyridazinones as fungicides ROHM & HAAS (US) 1999-05-26 EP disclosed
EP-0856255-A2 Pyridazinones as marine antifouling agents ROHM AND HAAS COMPANY (US) 1998-08-05 EP disclosed
US-5753642-A AGRICULTURE, MEDICINE ROHM AND HAAS COMPANY (US) 1998-05-19 US disclosed
US-5741793-A PYRIDAZINONE AS FUNGICIDES ROHM AND HAAS COMPANY (US) 1998-04-21 US disclosed
US-5728694-A Dihydropyridazinones, pyridazinones and related compounds as fungicides ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5728715-A FOR MAMMALS, AGRICULTURE, RICE, WHEAT, TOMATOES ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5728698-A AGRICULTURAL USE, RICE, WHEAT ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5726176-A FOR CONTROLLING AGRICULTURAL AND MAMMALIAN FUNGAL DISEASES ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
US-5726162-A FOR CONTROLLING AGRICULTURAL AND MAMMALIAN FUNGAL DISEASES ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
US-5631254-A RICE; HUMAN INFECTIONS ROHM AND HAAS COMPANY (US) 1997-05-20 US disclosed
US-5552409-A PHYTOPATHOGENIC, RICE ROHM AND HAAS COMPANY (US) 1996-09-03 US disclosed
EP-0478195-A1 Dihydropyridazinones, pyridazinones and related compounds as fungicides ROHM AND HAAS COMPANY (US) 1992-04-01 EP disclosed