SCHEMBL3716722

SCHEMBL3716722

O=[C]C(Sc1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ PKM P14618 1/20 0.39
▸ MAPT P10636 5/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ EPHX1 P07099 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
SCHEMBL10402172 0.76 MAP2K7 (0.37) LMNAALDH1A1MAPK1KMT2ACYP2D6
SCHEMBL15152119 0.74 APP (0.41) LMNASMN1; SMN2PKMMAPTALDH1A1
SCHEMBL16569811 0.74 LMNA (0.35) LMNASMN1; SMN2PKMMAPTALDH1A1
SCHEMBL949801 0.71 LMNA (0.39) LMNASMN1; SMN2PKMMAPTALDH1A1
SCHEMBL11317568 0.71 SMN1; SMN2 (0.36) LMNASMN1; SMN2PKMMAPTALDH1A1
SCHEMBL9955937 0.69 TDP1 (0.58) LMNASMN1; SMN2PKMMAPTALDH1A1
SCHEMBL6076178 0.69 MAPK1 (0.50) LMNASMN1; SMN2PKMMAPTALDH1A1
SCHEMBL9328653 0.68 TSHR (0.37) TSHR
SCHEMBL4390656 0.68 TSHR (0.38) LMNAALDH1A1MAPK1HPGDKMT2A
SCHEMBL9328658 0.68 TSHR (0.37) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858349-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2010-12-28 — — US disclosed
WO-2010127381-A1 DIAGNOSIS, MONITORING, PROGNOSIS, PREVENTION AND TREATMENT OF ANEURYSMS JAMES COOK UNIVERSITY (AU) 2010-11-11 — — WO disclosed
US-20090088454-A1 ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-04-02 — — US disclosed
US-7427496-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2008-09-23 — — US disclosed
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 — — WO disclosed
US-20060183772-A1 To inhibit tumor growth in an animal; to induce apoptosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-08-17 — — US disclosed
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