SCHEMBL7441237

SCHEMBL7441237

COc1cc(C(C)C)ccc(C2Sc3ccccc3N2C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HDAC4 P56524 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ LMNA P02545 1/20 0.36
▸ RECQL P46063 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TACR1 P25103 2/20 0.34
▸ HTR1A P08908 2/20 0.33
▸ HTR7 P34969 2/20 0.33
▸ GPR84 Q9NQS5 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ PDE4B Q07343 1/20 0.32
▸ MEN1 O00255 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
SCHEMBL7442181 0.84 ALDH1A1 (0.42) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL7447285 0.84 RAB9A (0.42) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL7449927 0.83 SMN1; SMN2 (0.43) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL8804534 0.83 KDM4E (0.41) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL8805992 0.83 RAB9A (0.45) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL7493819 0.82 ALDH1A1 (0.44) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL8804220 0.81 ALDH1A1 (0.41) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL7442622 0.80 SMN1; SMN2 (0.40) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL7444167 0.80 ALDH1A1 (0.42) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL8804218 0.80 ALDH1A1 (0.40) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0546102-B1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES UPJOHN CO (US) 1997-10-15 — — EP claimed
EP-0546102-A1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES. UPJOHN CO (US) 1993-06-16 — — EP claimed
WO-1992004338-A1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES THE UPJOHN COMPANY (US) 1992-03-19 — — WO claimed
US-5703071-A Tropolone derivatives and pharmaceutical composition thereof for preventing and treating ischemic diseases PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 — — US disclosed
EP-0546102-B1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES UPJOHN CO (US) 1997-10-15 — — EP disclosed
US-5594144-A TREATING CEREBROVASCULAR AND CARDIOVASCULAR DISORDERS THE UPJOHN COMPANY (US) 1997-01-14 — — US disclosed
WO-1992004338-A1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES THE UPJOHN COMPANY (US) 1992-03-19 — — WO disclosed
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