SCHEMBL30116622

SCHEMBL30116622

CCCCNc1cc(NC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3Cl)cc2)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ TRPA1 O75762 4/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ PPARD Q03181 1/20 0.43
▸ GCGR P47871 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ P2RX1 P51575 1/20 0.41
▸ P2RX4 Q99571 1/20 0.41
▸ P2RX7 Q99572 1/20 0.41
▸ TMPRSS4 Q9NRS4 1/20 0.41
▸ IL2 P60568 1/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ TRPV1 Q8NER1 2/20 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
SCHEMBL23226444 0.88 MEN1 (0.60) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23226443 0.86 KMT2A (0.49) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL30116638 0.84 MEN1 (0.46) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23226430 0.84 STING1 (0.46) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23226421 0.84 STING1 (0.47) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23226475 0.84 MEN1 (0.46) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23226420 0.83 MEN1 (0.43) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23226470 0.83 MEN1 (0.45) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23226429 0.83 MEN1 (0.44) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23226844 0.81 P2RX1 (0.48) MAPTMEN1KMT2ACYP3A4CYP2D6

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
CN-112409223-B Amide compound and medical application thereof as STING inhibitor 中国药科大学 2023-01-31 — — CN disclosed
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