SCHEMBL23920735

SCHEMBL23920735

CC(C)(C)c1nc(-c2cccc(-c3cccc(-c4cccc5oc6c(-c7ccc(-c8ccccc8)cc7)nc(C(C)(C)C)nc6c45)c3)c2)c2oc3ccccc3c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.39
▸ CSNK2A2 P19784 2/20 0.39
▸ CSNK2B P67870 2/20 0.39
▸ PIM3 Q86V86 2/20 0.39
▸ PIM2 Q9P1W9 2/20 0.39
▸ TSHR P16473 2/20 0.37
▸ MAPT P10636 7/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ ALDH1A1 P00352 7/20 0.36
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL23473689 0.90 TSHR (0.43) TSHRMAPTKMT2AMEN1CSF1R
SCHEMBL19162671 0.87 MAPT (0.47) TSHRMAPTKMT2AMEN1CSF1R
SCHEMBL19161618 0.84 MAPT (0.49) TSHRMAPTKMT2AMEN1CSF1R
SCHEMBL24474776 0.80 MAPT (0.36) TSHRMAPTKMT2AMEN1CSF1R
SCHEMBL23184021 0.80 ALDH1A1 (0.42) TSHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL19161962 0.79 CYP1A2 (0.43) TSHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL26818968 0.78 PIM1 (0.39) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL18017715 0.78 MAPT (0.51) TSHRMAPTKMT2AMEN1CSF1R
SCHEMBL18017802 0.78 MAPT (0.51) TSHRMAPTKMT2AMEN1CSF1R
SCHEMBL18017754 0.78 MAPT (0.51) TSHRMAPTKMT2AMEN1CSF1R

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-20210320263-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-10-14 — — US disclosed
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