SCHEMBL9130183

SCHEMBL9130183

Cc1cccc2c1ccn2[C@@H]1CC[C@@H](CO)O1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.42
▸ RIN1 Q13671 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALB P02768 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2A6 P11509 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ SLC5A1 P13866 1/20 0.33
▸ SLC5A2 P31639 1/20 0.33
▸ TFPI2 P48307 1/20 0.33
▸ FABP4 P15090 1/20 0.32

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
SCHEMBL9130179 1.00 ABL1 (0.42) ABL1RIN1ALDH1A1LMNAALB
SCHEMBL9131373 0.85 ABL1 (0.42) ABL1RIN1ALDH1A1LMNAALB
SCHEMBL9131377 0.85 ABL1 (0.42) ABL1RIN1ALDH1A1LMNAALB
SCHEMBL9128287 0.85 ABL1 (0.42) ABL1RIN1ALDH1A1LMNAALB
SCHEMBL9128281 0.85 ABL1 (0.42) ABL1RIN1ALDH1A1LMNAALB
SCHEMBL9127852 0.80 ABL1 (0.41) ABL1RIN1ALDH1A1LMNAALB
SCHEMBL9127856 0.80 ABL1 (0.41) ABL1RIN1ALDH1A1LMNAALB
SCHEMBL9127685 0.76 ALDH1A1 (0.51) ABL1RIN1ALDH1A1LMNAALB
SCHEMBL9127682 0.76 ALDH1A1 (0.51) ABL1RIN1ALDH1A1LMNAALB
SCHEMBL9128349 0.76 ALDH1A1 (0.43) ABL1RIN1ALDH1A1LMNAALB

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
EP-0484333-B1 NUCLEOSIDE DERIVATIVES AND THEIR USE AS MEDICAMENTS BOEHRINGER MANNHEIM GMBH (DE) 1995-11-15 — — EP disclosed
US-5446139-A Purine analog nucleoside and nucleotide compounds BOEHRINGER MANNHEIM GMBH (DE) 1995-08-29 — — US disclosed
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