SCHEMBL31139504

SCHEMBL31139504

O=C1Cc2cc(C(=O)Nc3ccccc3)ccc2N1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 14/20 0.58
HDAC3 O15379 1/20 0.58
PTPN1 P18031 2/20 0.51
TRPV1 Q8NER1 1/20 0.48

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
SCHEMBL3660176 1.00 SMYD3 (0.58) SMYD3HDAC3PTPN1TRPV1
SCHEMBL23143565 0.89 TRPV1 (0.56) SMYD3HDAC3PTPN1TRPV1
SCHEMBL5842454 0.86 TLK2 (0.57) SMYD3HDAC3PTPN1
SCHEMBL4415749 0.82 TLK2 (0.56) SMYD3HDAC3
SCHEMBL396708 0.82 KCNK3 (0.57) SMYD3TRPV1
SCHEMBL3193164 0.80 SMYD3 (0.61) SMYD3
SCHEMBL26547572 0.80 SMYD3 (0.56) SMYD3HDAC3
SCHEMBL3195105 0.80 CRBN (0.68) SMYD3HDAC3
SCHEMBL19691220 0.80 SMYD3 (0.61) SMYD3HDAC3
SCHEMBL16048824 0.80 SMYD3 (0.67) SMYD3HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3935050-B1 HETEROCYCLIC COMPOUNDS FOR MEDICAL TREATMENT C4 THERAPEUTICS INC (US) 2024-10-02 EP disclosed