SCHEMBL7442622

SCHEMBL7442622

COc1cc(C(C)C)ccc(C2Sc3ccccc3N2Cc2ccncc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ USP2 O75604 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ PDE4A P27815 5/20 0.34
▸ PDE4D Q08499 3/20 0.34
▸ PDE4B Q07343 2/20 0.34
▸ PDE4C Q08493 2/20 0.34

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
SCHEMBL7449927 0.92 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4ENPC1HPGD
SCHEMBL7436869 0.90 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1KDM4ENPC1HPGD
SCHEMBL7444167 0.87 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1KDM4ENPC1HPGD
SCHEMBL7447285 0.84 RAB9A (0.42) SMN1; SMN2ALDH1A1KDM4ENPC1HPGD
SCHEMBL8805992 0.82 RAB9A (0.45) SMN1; SMN2ALDH1A1KDM4ENPC1HPGD
SCHEMBL8806455 0.82 HCRTR1 (0.44) SMN1; SMN2ALDH1A1KDM4ENPC1HPGD
SCHEMBL7493819 0.82 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KDM4ENPC1HPGD
SCHEMBL7442181 0.82 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1KDM4ENPC1HPGD
SCHEMBL8804220 0.82 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1KDM4ENPC1HPGD
SCHEMBL8804534 0.80 KDM4E (0.41) SMN1; SMN2ALDH1A1KDM4ENPC1HPGD

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
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
EP-0546102-A1 TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES. UPJOHN CO (US) 1993-06-16 — — EP 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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