SCHEMBL22562238

SCHEMBL22562238

N#Cc1cc(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2cccc(-c3ccccc3)n2)cc1-n1c2ccccc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.34
KMT2A Q03164 6/20 0.34
CYP1A2 P05177 6/20 0.34
ALDH1A1 P00352 5/20 0.34
LMNA P02545 4/20 0.34
CYP3A4 P08684 4/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2D6 P10635 3/20 0.34
TSHR P16473 3/20 0.34
CLK4 Q9HAZ1 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
TGFBR1 P36897 1/20 0.34
MAPT P10636 4/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 3/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL22562212 0.98 CYP11B1 (0.36) MEN1KMT2ACYP1A2ALDH1A1LMNA
SCHEMBL22562347 0.93 CYP11B1 (0.36) MEN1KMT2ACYP1A2ALDH1A1CYP2C19
SCHEMBL21278885 0.92 MEN1 (0.40) MEN1KMT2ACYP1A2ALDH1A1LMNA
SCHEMBL19908971 0.91 MEN1 (0.36) MEN1KMT2ACYP1A2ALDH1A1LMNA
SCHEMBL22562237 0.90 TGFBR1 (0.37) MEN1KMT2ACYP1A2ALDH1A1LMNA
SCHEMBL22562240 0.90 ALDH1A3 (0.38) MEN1KMT2ACYP1A2ALDH1A1LMNA
SCHEMBL22563450 0.89 MEN1 (0.40) MEN1KMT2ACYP1A2ALDH1A1LMNA
SCHEMBL21278787 0.89 MEN1 (0.42) MEN1KMT2ACYP1A2ALDH1A1LMNA
SCHEMBL19942771 0.89 CYP1A2 (0.38) MEN1KMT2ACYP1A2ALDH1A1LMNA
SCHEMBL22562211 0.89 TGFBR1 (0.46) MEN1KMT2ACYP1A2ALDH1A1LMNA

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
EP-3418278-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP disclosed