SCHEMBL7839082

SCHEMBL7839082

Brc1ccc2c(c1)CCO2.[MgH2]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
BLM P54132 1/20 0.52
PRKCI P41743 1/20 0.50
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
DYRK1A Q13627 3/20 0.46
DYRK2 Q92630 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
GPR183 P32249 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
SCHEMBL29584634 0.98 MAPT (0.53) MAPTLMNAHTTBLMPRKCI
SCHEMBL155111 0.98 MAPT (0.53) MAPTLMNAHTTBLMPRKCI
SCHEMBL4854354 0.86 LMNA (0.50) MAPTLMNAHTTBLMPRKCI
SCHEMBL3520162 0.84 LMNA (0.48) MAPTLMNAHTTBLMPRKCI
SCHEMBL267355 0.81 LMNA (0.53) MAPTLMNAHTTBLMPRKCI
SCHEMBL30640621 0.78 DYRK1A (0.54) MAPTPRKCIDYRK1ADYRK2DYRK1B
SCHEMBL8187712 0.78 DYRK1A (0.54) MAPTPRKCIDYRK1ADYRK2DYRK1B
SCHEMBL2177890 0.78 LMNA (0.41) MAPTLMNAHTTBLMPRKCI
SCHEMBL23188919 0.77 DYRK1A (0.40) MAPTLMNAHTTBLMPRKCI
SCHEMBL6587136 0.77 DYRK1A (0.46) MAPTLMNAHTTBLMPRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714897-B1 FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY BANYU PHARMA CO LTD (JP) 2001-02-14 EP disclosed
US-5714479-A TREATMENT OF HYPERTENSION, ACUTE RENAL FAILURE, ANGINA PECTORIS, ARTERIOSCLEROSIS, ASTHMA, GASTRIC ULCER AND SIMILAR AILMENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-03 US disclosed
EP-0714897-A1 FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-06-05 EP disclosed