SCHEMBL20881992

SCHEMBL20881992

c1ccc(-c2nnc(-c3ccccc3)n2Cc2cccc3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ HSP90AB1 P08238 3/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CMA1 P23946 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ P2RX7 Q99572 1/20 0.43
▸ CES2 O00748 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL18659968 0.77 TSHR (0.51) TSHRALDH1A1LMNAKMT2APOLB
SCHEMBL6761838 0.72 POLB (0.56) TSHRTP53ALDH1A1LMNAHPGD
SCHEMBL10018495 0.71 TP53 (0.61) TSHRTP53ALDH1A1LMNAHPGD
SCHEMBL44765 0.70 SMN1; SMN2 (0.51) KMT2A
SCHEMBL28949385 0.70 SMN1; SMN2 (0.51) KMT2A
SCHEMBL29349692 0.70 SMN1; SMN2 (0.51) KMT2A
SCHEMBL25881210 0.69 MAPT (0.41) TSHRTP53ALDH1A1LMNAHPGD
SCHEMBL5798428 0.69 DAO (0.56) TSHRALDH1A1HPGDPOLBMAPT
Naphthalen-1-Yl-Methanol SCHEMBL27326059 0.69 TDP1 (0.57) HPGDKMT2AMAPTCYP2C19HTT
SCHEMBL3258886 0.67 POLB (0.64) TSHRTP53ALDH1A1LMNAHPGD

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-3467894-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2019-04-10 — — EP disclosed
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