SCHEMBL9753105

SCHEMBL9753105

COC(=O)N1C=C[CH]C=C1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
LPO P22079 2/20 0.32
P2RX4 Q99571 2/20 0.31
BCHE P06276 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7641213 0.76 TSHR (0.31) TSHRLPO
SCHEMBL30491883 0.74
SCHEMBL5344293 0.73 MAPK1 (0.38) TSHRLPOP2RX4ALDH1A1
SCHEMBL28289735 0.73 BCHE (0.33) TSHRLPOP2RX4BCHE
SCHEMBL28299411 0.73 CHRNB2 (0.32) TSHRLPOP2RX4
SCHEMBL4256336 0.70 P2RX4 (0.33) P2RX4
SCHEMBL1649446 0.69 TSHR (0.33) TSHR
SCHEMBL5773612 0.62 USP2 (0.38) BCHE
SCHEMBL6602093 0.61 P2RX4 (0.32) TSHRP2RX4
SCHEMBL568621 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991018903-A1 PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-12 WO claimed
WO-1991018903-A1 PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-12 WO disclosed