SCHEMBL9423170

SCHEMBL9423170

COC1(N(C)C)C=CC(C(=O)Nc2ccccc2)=CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
RAB9A P51151 6/20 0.37
NPC1 O15118 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KCNK3 O14649 1/20 0.36
HPGD P15428 2/20 0.36
MTOR P42345 1/20 0.36
BCAT2 O15382 1/20 0.36
CASP3 P42574 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL5190192 0.80 RAB9A (0.41) TSHRRAB9ANPC1LMNAMAPT
SCHEMBL29080583 0.77 RAB9A (0.37) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL10339864 0.76 RAB9A (0.41) TSHRRAB9ASMN1; SMN2LMNAMEN1
SCHEMBL1413121 0.75 PTPN1 (0.44) TSHRRAB9ASMN1; SMN2LMNAMEN1
SCHEMBL27495602 0.74 POLB (0.41) TSHRRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL8985178 0.70 HDAC2 (0.38) TSHRRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL9262918 0.70 ALOX5 (0.42) TSHRRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL9271646 0.69 ALOX5 (0.44) TSHRRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL9267213 0.69 ALOX5 (0.41) TSHRRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL28527798 0.68 BCAT2 (0.44) TSHRRAB9ANPC1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5278180-A 4,5-bis(aryl) 4H-1,2,4-triazoles derivatives and analgesic use ROUSSEL UCLAF (FR) 1994-01-11 US disclosed
EP-0176444-B1 PROCESS FOR THE PREPARATION OF DERIVATIVES OF 4H-1,2,4-TRIAZOLE, TRIAZOLES SO OBTAINED, THEIR USE AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1989-02-22 EP disclosed
EP-0176444-A1 Process for the preparation of derivatives of 4H-1,2,4-triazole, triazoles so obtained, their use as medicaments, and pharmaceutical compositons containing them ROUSSEL-UCLAF (FR) 1986-04-02 EP disclosed