SCHEMBL27917526

SCHEMBL27917526

CCCCn1c2ccccc2c2ccnc(Cc3ccccc3)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.49
▸ MCL1 Q07820 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ PGR P06401 2/20 0.47
▸ RORA P35398 1/20 0.47
▸ RORC P51449 1/20 0.47
▸ RORB Q92753 1/20 0.47
▸ HTT P42858 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ DYRK1A Q13627 1/20 0.45
▸ UTS2R Q9UKP6 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ CXCR4 P61073 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HASPIN Q8TF76 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
SCHEMBL27899842 0.95 KDM4E (0.51) KDM4EMCL1HPGDPGRRORA
SCHEMBL27917528 0.89 DYRK1A (0.55) TP53SMN1; SMN2DYRK1AMAPTHASPIN
SCHEMBL27899812 0.87 MCL1 (0.48) KDM4EMCL1HPGDHTTLMNA
Bromide SCHEMBL27899810 0.86 MCL1 (0.47) KDM4EMCL1HPGDHTTLMNA
SCHEMBL27899821 0.84 HASPIN (0.53) TP53SMN1; SMN2DYRK1AMAPTHASPIN
SCHEMBL27917591 0.83 MCL1 (0.62) KDM4EMCL1LMNASMN1; SMN2DYRK1A
SCHEMBL17102927 0.80 DYRK1A (0.65) PGRRORARORCRORBDYRK1A
SCHEMBL27992434 0.80 PGR (0.52) KDM4EMCL1HPGDPGRRORA
SCHEMBL28075295 0.80 MCL1 (0.54) KDM4EMCL1PGRRORARORC
SCHEMBL27908745 0.80 PGR (0.49) KDM4EMCL1PGRRORARORC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114191432-A Application of harmine derivative in preparation of anti-hydatid insecticide 新疆医科大学第一附属医院 2022-03-18 — — CN claimed
CN-114191432-A Application of harmine derivative in preparation of anti-hydatid insecticide 新疆医科大学第一附属医院 2022-03-18 — — CN disclosed
CN-104755078-A Application of harmine derivatives in preparation of antimicrobial agents XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD 2015-07-01 — — CN disclosed
CN-103070862-A Application of harmine derivative in preparation of antibacterial drugs XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD 2013-05-01 — — CN disclosed
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