SCHEMBL9531547

SCHEMBL9531547

O=C(c1cn2c(n1)sc1cc(OCc3ccccc3)ccc12)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ SRD5A2 P31213 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41

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
SCHEMBL10427550 0.92 SRD5A2 (0.40) SRD5A2CYP3A4
SCHEMBL17621065 0.87 SRD5A2 (0.49) TP53LMNAMAPTTSHRRAB9A
SCHEMBL17621034 0.82 TP53 (0.52) TP53LMNAMAPTTSHRRAB9A
SCHEMBL9532887 0.80 TP53 (0.42) TP53LMNAMAPTTSHRRAB9A
SCHEMBL11222988 0.73 HSD17B10 (0.56) TP53LMNAMAPTTSHRRAB9A
SCHEMBL28347137 0.72 MGAM (0.54) TP53LMNAMAPTTSHRRAB9A
SCHEMBL17621078 0.70 TP53 (0.43) TP53LMNAMAPTTSHRRAB9A
SCHEMBL29660211 0.70 TP53 (0.43) TP53LMNAMAPTTSHRRAB9A
SCHEMBL8272766 0.69 MEN1 (0.54) LMNAMAPTRAB9ASMN1; SMN2TDP1
SCHEMBL20518827 0.69 IRAK4 (0.53) TP53LMNAMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0313458-B1 IMIDAZO(2,1-B)BENZOTHIAZOLES AND THEIR ACID ADDITION SALTS, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-08-11 — — EP claimed
US-4895863-A MEMORY DISORDERS ROUSSEL UCLAF (FR) 1990-01-23 — — US claimed
US-4895863-A MEMORY DISORDERS ROUSSEL UCLAF (FR) 1990-01-23 — — US disclosed
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