SCHEMBL9620394

SCHEMBL9620394

Cc1ccccc1-n1nnn(C(=O)N(C(C)C)C(C)C)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 3/20 0.49
P2RX1 P51575 1/20 0.43
P2RX3 P56373 1/20 0.43
P2RX7 Q99572 1/20 0.43
BCHE P06276 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
HSD11B1 P28845 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
MAPK14 Q16539 1/20 0.36
MAPT P10636 1/20 0.35
MGLL Q99685 1/20 0.35
LMNA P02545 2/20 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
SCHEMBL9620373 0.85 SMN1; SMN2 (0.43) P2RX4SMN1; SMN2MEN1KMT2APKM
SCHEMBL12115988 0.85 P2RX4 (0.48) P2RX4P2RX1P2RX3P2RX7BCHE
SCHEMBL12118956 0.81 P2RX4 (0.39) P2RX4P2RX1SMN1; SMN2MEN1KMT2A
SCHEMBL8977315 0.78 P2RX4 (0.38) P2RX4P2RX1P2RX3BCHESMN1; SMN2
SCHEMBL8977311 0.78 P2RX4 (0.38) P2RX4P2RX1P2RX3BCHESMN1; SMN2
SCHEMBL12115667 0.76 L3MBTL1 (0.43) MEN1KMT2AALDH1A1L3MBTL1ALOX15
SCHEMBL12118973 0.74 HSD11B1 (0.35) P2RX4SMN1; SMN2MEN1KMT2APKM
SCHEMBL9620258 0.72 ALDH1A1 (0.40) SMN1; SMN2MEN1KMT2AALDH1A1ALOX15
SCHEMBL12114598 0.71 ALDH1A1 (0.43) P2RX4SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15856642 0.71 ALDH1A1 (0.45) SMN1; SMN2MEN1KMT2AALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0202929-B1 SUBSTITUTED TETRAZOLINONES UNIROYAL CHEMICAL COMPANY, Inc. (US) 1992-01-02 EP claimed
EP-0202929-A2 Substituted tetrazolinones UNIROYAL CHEMICAL COMPANY, Inc. (US) 1986-11-26 EP claimed
EP-0202929-B1 SUBSTITUTED TETRAZOLINONES UNIROYAL CHEMICAL COMPANY, Inc. (US) 1992-01-02 EP disclosed
US-4956469-A REACTION OF A TETRAZOLONE WITH AN ALKALI METAL CARBONATE FOLLOWED BY REACTION WITH A CARBAMOYL HALIDE, THESE ARE USEFUL AS HERBICIDES UNIROYAL CHEMICAL COMPANY, INC. (US) 1990-09-11 US disclosed
US-4826529-A PLANT GROWTH REGULATORS UNIROYAL CHEMICAL COMPANY, INC. (US) 1989-05-02 US disclosed
EP-0202929-A2 Substituted tetrazolinones UNIROYAL CHEMICAL COMPANY, Inc. (US) 1986-11-26 EP disclosed