SCHEMBL28857603

SCHEMBL28857603

Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc4cccnc4c3)s2)n1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ P2RY14 Q15391 2/20 0.44
▸ NOTUM Q6P988 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ TRPV1 Q8NER1 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TNIK Q9UKE5 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
SCHEMBL28857620 0.87 TNIK (0.49) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL28857632 0.82 IMPDH2 (0.46) NOTUMLMNAPOLBTNIK
SCHEMBL28857602 0.81 LMNA (0.40) LMNANPC1RAB9ACASP3SENP7
SCHEMBL29898230 0.81 LMNA (0.40) LMNANPC1RAB9ACASP3SENP7
SCHEMBL28857617 0.81 ESR1 (0.43) NOTUMLMNANPC1RAB9APOLB
SCHEMBL29898258 0.80 POLB (0.49) MEN1KMT2ALMNARAB9APOLB
SCHEMBL28857574 0.80 MGLL (0.48) LMNANPC1RAB9APOLBSMN1; SMN2
SCHEMBL28857616 0.80 POLB (0.49) MEN1KMT2ALMNARAB9APOLB
SCHEMBL29898221 0.79 SMN1; SMN2 (0.46) MEN1KMT2ALMNAPOLBSMN1; SMN2
SCHEMBL28857607 0.79 SMN1; SMN2 (0.46) MEN1KMT2ALMNAPOLBSMN1; SMN2

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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