SCHEMBL6890727

SCHEMBL6890727

CC(=O)C=Cc1ccc2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 1.00
KDM4E B2RXH2 8/20 1.00
MAPT P10636 8/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
HTT P42858 2/20 1.00
CYP1A2 P05177 1/20 1.00
CYP2C19 P33261 1/20 1.00
HDAC6 Q9UBN7 2/20 0.67
HDAC3 O15379 1/20 0.67
HDAC4 P56524 1/20 0.67
HDAC1 Q13547 1/20 0.67
HDAC7 Q8WUI4 1/20 0.67
HDAC2 Q92769 1/20 0.67
HDAC10 Q969S8 1/20 0.67
HDAC11 Q96DB2 1/20 0.67
HDAC8 Q9BY41 1/20 0.67
HDAC9 Q9UKV0 1/20 0.67
HDAC5 Q9UQL6 1/20 0.67
PFKFB3 Q16875 2/20 0.61
PKM P14618 2/20 0.57

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
SCHEMBL6890723 1.00 LMNA (1.00) LMNAKDM4EMAPTSMN1; SMN2HTT
Hydrochloric Acid SCHEMBL16765969 0.98 LMNA (0.97) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL902324 0.84 LMNA (1.00) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL372572 0.84 LMNA (1.00) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL5717630 0.83 LMNA (0.73) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL30209642 0.83 LMNA (0.73) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL5717629 0.83 LMNA (0.73) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL5093226 0.82 KDM4E (0.69) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL5093238 0.82 KDM4E (0.69) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL3532094 0.80 HDAC6 (1.00) LMNAKDM4EMAPTSMN1; SMN2HTT

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
WO-2004018462-A1 QUINAZOLINONE DERIVATIVES CELLTECH R & D LIMITED (GB) 2004-03-04 WO disclosed
US-3989708-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-02 US disclosed