SCHEMBL9788261

SCHEMBL9788261

Cc1c(C(=O)O)c(=O)cnn1-c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
HTT P42858 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 2/20 0.47
NOTUM Q6P988 1/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ATM Q13315 1/20 0.45
RIPK1 Q13546 1/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
LMNA P02545 1/20 0.44
GRM1 Q13255 1/20 0.44
MAPK1 P28482 1/20 0.43
PPP1CA P62136 1/20 0.43
PAX8 Q06710 1/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43

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
SCHEMBL9788240 0.86 MAPK1 (0.58) KMT2AHTTPKMNPC1RAB9A
SCHEMBL9005750 0.85 KMT2A (0.48) KMT2AALDH1A1NOTUMNPC1RAB9A
SCHEMBL9005822 0.83 NR4A3 (0.51) KMT2AHTTALDH1A1KDM4EPKM
SCHEMBL6052435 0.82 KMT2A (0.64) KMT2AHTTPKMNOTUMNPC1
SCHEMBL2201890 0.79 LMNA (0.64) KMT2AALDH1A1KDM4EPKMNOTUM
SCHEMBL10357500 0.77 ALDH1A1 (0.59) KMT2AALDH1A1KDM4EPKMNOTUM
SCHEMBL18933554 0.76 RXRA (0.52) KMT2AHTTALDH1A1PKMNPC1
SCHEMBL6345488 0.76 MAPK1 (0.70) KMT2AHTTALDH1A1PKMNPC1
SCHEMBL9788349 0.75 LMNA (0.47) HTTKDM4ENOTUMRAB9ALMNA
SCHEMBL11624685 0.75 NOTUM (0.68) KMT2AALDH1A1KDM4EPKMNOTUM

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-5062880-A Male plant sterility MONSANTO COMPANY (US) 1991-11-05 US disclosed
US-4732603-A ANTIFERTILITY AGENTS ROHM AND HAAS COMPANY (US) 1988-03-22 US disclosed
EP-0049971-B1 SUBSTITUTED PYRIDAZINES, PROCESSES FOR MAKING THEM, THEIR USE AS PLANT GROWTH REGULATORS, AND PLANT GROWTH REGULATING COMPOSITIONS CONTAINING THEM ROHM AND HAAS COMPANY (US) 1987-04-08 EP disclosed
EP-0049971-A1 Substituted pyridazines, processes for making them, their use as plant growth regulators, and plant growth regulating compositions containing them ROHM AND HAAS COMPANY (US) 1982-04-21 EP disclosed