SCHEMBL7693222

SCHEMBL7693222

C[CH]N1CCCCC1CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL3704743 0.93
SCHEMBL15658693 0.83 KMT2A (0.39) KMT2AALDH1A1KDM4EPSEN1PSEN2
SCHEMBL31022708 0.81 KMT2A (0.41) KMT2AALDH1A1KDM4EPSEN1PSEN2
SCHEMBL13329800 0.81 KMT2A (0.41) KMT2AALDH1A1KDM4EPSEN1PSEN2
SCHEMBL4158148 0.81 KMT2A (0.41) KMT2AALDH1A1KDM4EPSEN1PSEN2
SCHEMBL10648906 0.81 KMT2A (0.41) KMT2AALDH1A1KDM4EPSEN1PSEN2
SCHEMBL6865564 0.81 CHRNB2 (0.40) KMT2AALDH1A1KDM4EPSEN1PSEN2
SCHEMBL30481660 0.79 KMT2A (0.37) KMT2AALDH1A1KDM4EPSEN1PSEN2
SCHEMBL25602216 0.78 KMT2A (0.36) KMT2AALDH1A1KDM4EPSEN1PSEN2
SCHEMBL14597035 0.77 AR (0.32) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002016348-A1 ANTIANGIOGENIC BICYCLIC DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO disclosed
EP-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 EP disclosed
US-5401740-A FOR INHIBITING PLATELET AGGREGATION OTSUKA PHARMACEUTICAL CO. (JP) 1995-03-28 US disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 EP disclosed