SCHEMBL8984047

SCHEMBL8984047

N#Cc1ccccc1NC1=CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
KDM4E B2RXH2 4/20 0.39
TSHR P16473 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
AURKA O14965 1/20 0.37
GAA P10253 3/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
KMT2A Q03164 5/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL8769018 0.90 KDM4E (0.43) FLT1FLT4KDRKDM4ETSHR
SCHEMBL8984088 0.75 MT-CO2 (0.45) FLT1FLT4KDRKDM4ETSHR
SCHEMBL30804597 0.74 KDM4E (0.55) FLT1FLT4KDRKDM4ETSHR
SCHEMBL30804592 0.74 KDM4E (0.55) FLT1FLT4KDRKDM4ETSHR
SCHEMBL395135 0.74 KDM4E (0.55) FLT1FLT4KDRKDM4ETSHR
Hydrochloric Acid SCHEMBL9875354 0.74 MT-CO2 (0.44) FLT1FLT4KDRKDM4ETSHR
SCHEMBL30050529 0.73 C1R (0.34)
SCHEMBL24035066 0.72 NISCH (0.44) KDM4ETSHRGAAKMT2AL3MBTL1
SCHEMBL9874246 0.71 TAS1R3 (0.41) FLT1FLT4KDRKDM4ETSHR
SCHEMBL29266627 0.70 CTSS (0.37) KDRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449172-B1 A method of reducing a carbonyl containing acridine HOECHST ROUSSEL PHARMA (US) 1996-06-05 EP disclosed
EP-0581194-A1 A process for the preparation of enamines in aqueous media HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-02-02 EP disclosed
US-5247091-A Preparation of enamines in aqueous media HOECHST CELANESE CORPORATION (US) 1993-09-21 US disclosed
EP-0449172-A1 A method of reducing a carbonyl containing acridine HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-10-02 EP disclosed
US-5053513-A Catalytic hydrogenation using noble metal catalyst, lithium hydroxide, solvent HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-10-01 US disclosed