SCHEMBL11780686

SCHEMBL11780686

CCOC(=O)c1ccc(C(=O)Cl)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
ALDH1A1 P00352 6/20 0.60
MAPT P10636 4/20 0.60
RAB9A P51151 3/20 0.60
NPC1 O15118 3/20 0.60
PKM P14618 2/20 0.60
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60
LMNA P02545 2/20 0.58
POLB P06746 2/20 0.58
KDM4E B2RXH2 2/20 0.58
PTGER4 P35408 1/20 0.56
MEN1 O00255 3/20 0.53
SMN1; SMN2 Q16637 5/20 0.52
GAA P10253 1/20 0.52
THRB P10828 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48

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
SCHEMBL6422578 0.90 KMT2A (0.65) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL11692877 0.89 KMT2A (0.54) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL7941824 0.87 KMT2A (0.62) KMT2AALDH1A1MAPTRAB9ANPC1
Hydrochloric Acid SCHEMBL11780689 0.86 KMT2A (0.61) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL1661691 0.84 VCAM1 (0.59) KMT2AALDH1A1MAPTPKMLMNA
SCHEMBL18779429 0.84 KMT2A (0.58) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL260606 0.83 KMT2A (0.64) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL28066675 0.83 KMT2A (0.57) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL1981486 0.82 KMT2A (0.67) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL18763562 0.82 KMT2A (0.56) KMT2AALDH1A1MAPTRAB9ANPC1

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-3971741-A DISPERSION PIGMENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed