SCHEMBL16572273

SCHEMBL16572273

Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3Cl)nc1)C(C)(C)CN2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 1/20 0.47
▸ RAB9A P51151 6/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ NPC1 O15118 5/20 0.45
▸ TP53 P04637 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ GAA P10253 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ PTBP1 P26599 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ DYRK1A Q13627 2/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL12155679 0.81 IL2 (0.47) IL2RAB9ASMN1; SMN2NPC1TP53
SCHEMBL12156136 0.78 STIM1 (0.51) IL2RAB9ASMN1; SMN2NPC1TP53
SCHEMBL12155503 0.77 RAB9A (0.52) IL2RAB9ASMN1; SMN2NPC1TP53
SCHEMBL16572274 0.77 IL2 (0.47) IL2RAB9ASMN1; SMN2NPC1TP53
SCHEMBL1701867 0.77 RAB9A (0.48) IL2RAB9ASMN1; SMN2NPC1TP53
SCHEMBL12155900 0.76 RAB9A (0.56) IL2RAB9ASMN1; SMN2NPC1TP53
SCHEMBL12241574 0.76 SMN1; SMN2 (0.47) IL2RAB9ASMN1; SMN2NPC1TP53
SCHEMBL12241670 0.76 IL2 (0.47) IL2RAB9ASMN1; SMN2NPC1TP53
SCHEMBL1702582 0.75 STIM1 (0.53) IL2RAB9ASMN1; SMN2NPC1TP53
SCHEMBL12155934 0.75 RAB9A (0.48) IL2RAB9ASMN1; SMN2NPC1TP53

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
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
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