SCHEMBL10673820

SCHEMBL10673820

O=C(O)CSc1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 1.00
▸ APEX1 P27695 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ PDE10A Q9Y233 1/20 0.55
▸ DHODH Q02127 1/20 0.52
▸ ACP1 P24666 1/20 0.52
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ ACACA Q13085 1/20 0.50
▸ TACR3 P29371 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CYP3A4 P08684 1/20 0.48
▸ ACHE P22303 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ PRNP P04156 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL10672389 0.86 CYP2C9 (0.75) CYP2C9KDM4ELMNASMN1; SMN2PDE10A
SCHEMBL10675093 0.83 CYP2C9 (0.71) CYP2C9KDM4ELMNASMN1; SMN2PDE10A
Hydrochloric Acid SCHEMBL10676746 0.82 CYP2C9 (0.69) CYP2C9KDM4ELMNASMN1; SMN2MEN1
SCHEMBL9379905 0.81 CYP2C9 (0.68) CYP2C9KDM4EMEN1KMT2AUSP2
SCHEMBL18499105 0.77 CYP2C9 (0.63) CYP2C9KDM4EMEN1KMT2AUSP2
SCHEMBL10683012 0.76 CYP2C9 (0.60) CYP2C9KDM4ELMNASMN1; SMN2PDE10A
SCHEMBL10506477 0.75 KDM4E (0.61) CYP2C9KDM4ELMNASMN1; SMN2PDE10A
Hydrochloric Acid SCHEMBL10673862 0.75 CYP2C9 (0.59) CYP2C9KDM4ELMNASMN1; SMN2PDE10A
SCHEMBL10671971 0.74 CYP2C9 (0.59) CYP2C9KDM4ELMNASMN1; SMN2PDE10A
SCHEMBL1147520 0.74 KDM4E (0.65) CYP2C9KDM4EMEN1KMT2AUSP2

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
US-4788204-A TRANQUILIZERS; ANTICONVULSANTS; ANGINA AND IMMUNODIFICIENCY TREATMENTS RHONE-POULENC SANTE (FR) 1988-11-29 — — US disclosed
US-4788199-A ANXIOLYTICS, ANTICONVULSANTS, ANTIANGINA AGENTS RHONE-POULENC SANTE (FR) 1988-11-29 — — US disclosed
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