SCHEMBL28857616

SCHEMBL28857616

Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)s2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MAPT P10636 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ GBA1 P04062 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 2/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ALOX15 P16050 1/20 0.43

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
SCHEMBL29898258 1.00 POLB (0.49) POLBSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL28857587 0.91 POLB (0.47) POLBSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL29898218 0.91 POLB (0.47) POLBSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL29898279 0.91 KMT2A (0.49) POLBSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL28857586 0.91 KMT2A (0.49) POLBSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL28857590 0.87 POLB (0.51) POLBSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL28857607 0.84 SMN1; SMN2 (0.46) POLBSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL29898221 0.84 SMN1; SMN2 (0.46) POLBSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL28857620 0.84 TNIK (0.49) POLBSMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL28857574 0.83 MGLL (0.48) POLBSMN1; SMN2RAB9AMAPTLMNA

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
CN-115160269-A Arylcarboxamide derivatives as positive allosteric modulators of NMDAR 北京大学 2022-10-11 — — CN claimed
CN-115160269-A Arylcarboxamide derivatives as positive allosteric modulators of NMDAR 北京大学 2022-10-11 — — CN disclosed
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