SCHEMBL10463549

SCHEMBL10463549

CCn1c(C)cc(=O)c(C(=O)O)c1-c1ccc(Cl)cc1.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
AHR P35869 1/20 0.40
VDR P11473 1/20 0.38
ENPP2 Q13822 1/20 0.37
HTT P42858 1/20 0.37
DHODH Q02127 1/20 0.37
CNR2 P34972 1/20 0.36

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
SCHEMBL122379 0.99 KMT2A (0.49) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL16594527 0.92 KMT2A (0.44) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL9333425 0.88 KMT2A (0.42) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL9333387 0.88 KDM4E (0.46) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL10469560 0.87 AKR1B10 (0.42) KMT2AMEN1POLBRAB9ANPC1
SCHEMBL9330776 0.86 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1KDM4EPOLB
SCHEMBL9330764 0.86 ENPP2 (0.44) KMT2AMEN1ALDH1A1KDM4EHPGD
Potassium Ion SCHEMBL2690677 0.86 KMT2A (0.47) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL10463548 0.86 KMT2A (0.47) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL9330760 0.86 POLB (0.43) KMT2AMEN1ALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4964896-A GAMETOCIDES MONSANTO COMPANY (US) 1990-10-23 US disclosed
US-4936904-A Aryl-4-oxonicotinates useful for inducing male sterility in cereal grain plants MONSANTO TECHNOLOGY LLC 1990-06-26 US disclosed
US-4714492-A HYBRIDIZATION AGENTS ROHM AND HAAS COMPANY (US) 1987-12-22 US disclosed
EP-0040082-B1 NOVEL SUBSTITUTED OXONICOTINATES, THEIR USE AS PLANT GROWTH REGULATORS AND PLANT GROWTH REGULATING COMPOSITIONS CONTAINING THEM ROHM AND HAAS COMPANY (US) 1984-04-25 EP disclosed
EP-0040082-A1 Novel substituted oxonicotinates, their use as plant growth regulators and plant growth regulating compositions containing them ROHM AND HAAS COMPANY (US) 1981-11-18 EP disclosed