SCHEMBL28868393

SCHEMBL28868393

Fn1c2ccccc2c2ccnc(Cc3ccccc3)c21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 6/20 0.44
▸ CYP19A1 P11511 1/20 0.38
▸ PTPN1 P18031 1/20 0.36
▸ SMO Q99835 2/20 0.36
▸ PAX8 Q06710 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ AR P10275 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CCNK O75909 1/20 0.34
▸ CDK12 Q9NYV4 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL27885016 0.82 HASPIN (0.40) MCL1PTPN1
SCHEMBL27917591 0.81 MCL1 (0.62) MCL1CYP19A1DYRK1AMEN1KMT2A
SCHEMBL27899812 0.80 MCL1 (0.48) MCL1CYP19A1DYRK1AMEN1HTT
Bromide SCHEMBL27899810 0.79 MCL1 (0.47) MCL1CYP19A1DYRK1AMEN1HTT
SCHEMBL27917595 0.78 MCL1 (0.63) MCL1CYP19A1DYRK1AMEN1KMT2A
SCHEMBL27917526 0.76 KDM4E (0.49) MCL1DYRK1AHTTKMT2A
SCHEMBL27899842 0.74 KDM4E (0.51) MCL1HTT
SCHEMBL27899816 0.72 P2RX4 (0.52) MCL1CYP19A1DYRK1AHTTKMT2A
SCHEMBL232662 0.67 ACHE (0.49) PARP1AR
SCHEMBL29373118 0.67 ACHE (0.49) PARP1AR

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 2 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
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