SCHEMBL30872133

SCHEMBL30872133

CNC(=S)NNC(=O)C1(c2ccnc(Cl)c2)CC(C)C1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ TAS1R3 Q7RTX0 2/20 0.35
▸ TAS1R1 Q7RTX1 2/20 0.35
▸ TAS1R2 Q8TE23 2/20 0.35
▸ LMNA P02545 3/20 0.34
▸ GAA P10253 3/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SMARCA2 P51531 3/20 0.32
▸ SMARCA4 P51532 3/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ P2RX4 Q99571 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL25415100 0.87 ALDH1A1 (0.35) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL30872137 0.79 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2SMARCA2SMARCA4
SCHEMBL31458968 0.78 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2SMARCA2SMARCA4
SCHEMBL31251405 0.77 ALDH1A1 (0.33) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL31459168 0.77 ALDH1A1 (0.36) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL25311599 0.76 KMT2A (0.40) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL30153227 0.76 KMT2A (0.40) ALDH1A1LMNAGAAKMT2AMEN1
SCHEMBL31459286 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL31737974 0.74 ALDH1A1 (0.36) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL31459164 0.73 ALDH1A1 (0.38) ALDH1A1LMNAGAARAB9A

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-117940404-A Tricyclic compounds as Cbl-b inhibitors 海南先声再明医药股份有限公司 2024-04-26 — — CN disclosed
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