SCHEMBL7841771

SCHEMBL7841771

CCOC(=O)c1cnc(-c2ccc3cc(OCc4ccccc4)ccc3c2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.58
MEN1 O00255 1/20 0.58
HSP90AA1 P07900 1/20 0.58
KMT2A Q03164 1/20 0.58
GABRA1 P14867 2/20 0.52
GABRG2 P18507 2/20 0.52
GABRB3 P28472 2/20 0.52
GABRA5 P31644 2/20 0.52
GABRA3 P34903 2/20 0.52
GABRA2 P47869 2/20 0.52
PPARG P37231 1/20 0.51
NMT1 P30419 4/20 0.50
NMT2 O60551 1/20 0.50
ALOX5 P09917 1/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL7842850 0.87 ALDH1A1 (0.46) MAOBMEN1HSP90AA1KMT2AMRGPRX4
SCHEMBL7840234 0.86 MRGPRX4 (0.60) MEN1KMT2AALOX5MRGPRX4
SCHEMBL6337447 0.81 MEN1 (0.60) MAOBMEN1HSP90AA1KMT2AGABRA1
SCHEMBL32682867 0.78 SMN1; SMN2 (0.51) MAOBMEN1HSP90AA1KMT2AGABRA1
SCHEMBL340618 0.77 MAOB (0.67) MAOBKMT2APPARGMAPTLMNA
SCHEMBL6751328 0.77 MEN1 (0.55) MAOBMEN1HSP90AA1KMT2APPARG
SCHEMBL8546622 0.77 ALDH1A1 (0.65) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL13057641 0.77 MEN1 (0.57) MAOBMEN1HSP90AA1KMT2AGABRA1
SCHEMBL340106 0.76 MAOB (0.69) MAOBMEN1HSP90AA1KMT2AMAPT
SCHEMBL10823986 0.76 ALDH1A1 (0.59) MAOBMEN1HSP90AA1KMT2ANMT1

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
EP-0751133-B1 Pyrimidine compound, and liquid crystal composition and liquid crystal element using the same MITSUI CHEMICALS INC (JP) 2001-09-12 EP disclosed
US-5770108-A HIGH SPEED RESPONSE, MOLECULAR ORIENTATION, HIGH CONTRAST, RECEPTIVITY MITSUI TOATSU CHEMICALS, INC. (JP) 1998-06-23 US disclosed
EP-0751133-A1 Pyrimidine compound, and liquid crystal composition and liquid crystal element using the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-01-02 EP disclosed