SCHEMBL6972645

SCHEMBL6972645

O=C(O)c1ccc(Cc2c[nH]cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.44
SRD5A2 P31213 3/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.42
TP53 P04637 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
PABPC1 P11940 1/20 0.38
NR4A2 P43354 1/20 0.37

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
SCHEMBL1473732 0.85 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1TSHRTP53
SCHEMBL7664520 0.85 PLA2G10 (0.50) SMN1; SMN2
SCHEMBL6966335 0.83 CA2 (0.44) KMT2AMEN1LMNAALDH1A1TSHR
SCHEMBL6973879 0.79 HDAC6 (0.54) LMNATSHRCA2RAB9APOLB
SCHEMBL9028085 0.79 KMT2A (0.55) KMT2AMEN1LMNAALDH1A1TSHR
SCHEMBL28216766 0.79 ESR1 (0.48) CA2
SCHEMBL6966762 0.79 PRSS1 (0.46)
Immethridine SCHEMBL27875904 0.79 HDAC1 (0.38) KMT2AALDH1A1TSHRSMN1; SMN2POLB
SCHEMBL649075 0.78 ALDH1A1 (0.46) KMT2AMEN1LMNAALDH1A1TSHR
SCHEMBL9647590 0.77 KLKB1 (0.61) KMT2AMEN1ALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
EP-0729459-B1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORP (US) 2003-03-12 EP disclosed