SCHEMBL20053796

SCHEMBL20053796

Clc1nc(Cl)nc(NCCCCNc2nc(Cl)nc(Cl)n2)n1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
LMNA P02545 1/20 0.52
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
CA14 Q9ULX7 3/20 0.43
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
NR1I2 O75469 1/20 0.42
AHR P35869 1/20 0.42
PKM P14618 1/20 0.38
RAD52 P43351 1/20 0.38

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
SCHEMBL140123 0.97 KMT2A (0.61) KMT2ALMNACA12CA1CA2
SCHEMBL13558679 0.95 KMT2A (0.53) KMT2ALMNACA12CA1CA2
SCHEMBL11083082 0.89 LMNA (0.56) KMT2ALMNACA12CA1CA2
SCHEMBL616128 0.89 KMT2A (0.74) KMT2ALMNANR1I2AHRPKM
SCHEMBL10912439 0.87 KMT2A (0.77) KMT2ALMNANR1I2AHRPKM
SCHEMBL17563553 0.87 KMT2A (0.77) KMT2ALMNANR1I2AHRPKM
SCHEMBL1562316 0.87 KMT2A (0.77) KMT2ALMNANR1I2AHRPKM
SCHEMBL2238412 0.87 KMT2A (0.77) KMT2ALMNANR1I2AHRPKM
SCHEMBL7937257 0.87 KMT2A (0.77) KMT2ALMNANR1I2AHRPKM
SCHEMBL2328267 0.87 KMT2A (0.77) KMT2ALMNANR1I2AHRPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9943811-B2 Solvent and acid stable membranes, methods of manufacture thereof and methods of use thereof inter alia for separating metal ions from liquid process streams AMS TECHNOLOGIES IN. (2012) LTD (IL) 2018-04-17 US disclosed