SCHEMBL17033668

SCHEMBL17033668

c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccn5)cc4)nc(-n4c5ccccc5c5cc6nc7c8ccccc8c8ccccc8n7c6cc54)n3)cc2)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.35
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
PPP1CA P62136 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPY5R Q15761 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
METAP1 P53582 1/20 0.32
CHEK2 O96017 1/20 0.32
HSD17B10 Q99714 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL17033685 0.93 DHODH (0.38) DHODHKMT2AMAPTCYP1A2CYP2C9
SCHEMBL16067108 0.91 DHODH (0.37) DHODHKMT2AMAPTCYP1A2CYP2C9
SCHEMBL16066978 0.90 DHODH (0.38) DHODHKMT2AMAPTCYP1A2CYP2C9
SCHEMBL17033707 0.87 HPGD (0.41) KMT2AMAPTKDM4EALDH1A1HPGD
SCHEMBL17033763 0.87 KDM4E (0.43) KMT2AMAPTKDM4EALDH1A1HPGD
SCHEMBL17033663 0.85 HPGD (0.34) KMT2ANPSR1KDM4EALDH1A1HPGD
SCHEMBL17033414 0.84 NPY5R (0.39) DHODHKMT2AMAPTCYP1A2CYP2C9
SCHEMBL16067152 0.84 DHODH (0.40) DHODHKMT2AMAPTCYP1A2CYP2C9
SCHEMBL17033682 0.83 CYP1A1 (0.40) KMT2AMAPTCYP1A2KDM4EALDH1A1
SCHEMBL16066492 0.83 HPGD (0.37) DHODHKMT2AMAPTCYP2C9KDM4E

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
WO-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed