SCHEMBL18700221

SCHEMBL18700221

C=Nc1ccc(Cl)cc1SCNC

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PLA2G1B P04054 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ ATG4B Q9Y4P1 1/20 0.31

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
SCHEMBL29293325 0.77 PLA2G1B (0.33) TAAR1MEN1ALDH1A1PLA2G1BHSP90AA1
SCHEMBL10282138 0.75 HPGD (0.36) MEN1ALDH1A1PLA2G1BHSP90AA1CYP3A4
SCHEMBL22791315 0.69 CCR2 (0.35) MEN1ALDH1A1PLA2G1BHSP90AA1CYP3A4
SCHEMBL22791569 0.65 GAA (0.35) MEN1ALDH1A1CYP3A4HPGDKMT2A
SCHEMBL25057042 0.65 TRPA1 (0.34) MEN1ALDH1A1KMT2A
SCHEMBL19540597 0.61 ALDH1A1 (0.50) MEN1ALDH1A1CYP3A4HPGDCYP2C19
SCHEMBL20274096 0.61 MEN1 (0.37) MEN1ALDH1A1CYP3A4HPGDCYP2C19
SCHEMBL22791443 0.59 SLC6A4 (0.31) —
SCHEMBL29293276 0.59 TAAR1 (0.49) TAAR1
SCHEMBL7751782 0.59 TDP1 (0.40) MEN1ALDH1A1PLA2G1BCYP3A4CYP2D6

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
EP-3735411-B1 1,3,4,5-TETRAHYDRO-2H-PYRIDO[4,3-B]INDOLE DERIVATIVES FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES LIKE ALZHEIMER`S DISEASE AC IMMUNE SA (CH) 2024-07-10 — — EP disclosed
EP-3150705-A1 METHOD FOR INDUCING MYOCARDIAL DIFFERENTIATION OF PLURIPOTENT STEM CELLS USING LOW-MOLECULAR COMPOUND Kyoto University (JP) 2017-04-05 — — EP disclosed
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