SCHEMBL9004604

SCHEMBL9004604

O=c1c(=NNC(=S)Nc2ccccc2F)c(=O)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 3/20 0.47
KMT2A Q03164 5/20 0.47
APAF1 O14727 1/20 0.47
TDP2 O95551 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL9004668 0.84 RAB9A (0.57) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL9004665 0.80 ALDH1A1 (0.52) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL9004676 0.79 ALDH1A1 (0.55) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL9004612 0.75 MAPT (0.54) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL9004715 0.74 MAPT (0.53) ALDH1A1MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL5449341 0.74 ALDH1A1 (0.70) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL29838503 0.74 ALDH1A1 (0.70) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL9004777 0.72 KMT2A (0.51) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL9004661 0.72 MAPT (0.56) ALDH1A1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL9004690 0.71 KMT2A (0.56) ALDH1A1MAPTSMN1; SMN2KMT2AAPAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5571843-A Derivatives of indan-1,3-dione and indan-1,2,3-trione, methods of preparing them and therapeutic use thereof INNOTHERA (FR) 1996-11-05 US disclosed
EP-0566445-B1 Derivatives of indane 1,3-dione and indane-1,2,3-trione, processes for their preparation and their application in therapy INNOTHERA LAB SA (FR) 1996-02-07 EP disclosed
EP-0566445-A1 Derivatives of indane 1,3-dione and indane-1,2,3-trione, processes for their preparation and their application in therapy INNOTHERA (FR) 1993-10-20 EP disclosed
WO-1993020045-A1 INDAN-1,3-DIONE AND INDAN-1,2,3-TRIONE DERIVATIVES, PROCESSES FOR THE PREPARATION OF SAME AND THEIR APPLICATION AS THERAPEUTIC AGENTS INNOTHERA (FR) 1993-10-14 WO disclosed