SCHEMBL9778596

SCHEMBL9778596

O=C(c1ccccc1)N1CCN(c2n[nH]c3ccccc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
MAPK10 P53779 3/20 0.61
SMO Q99835 6/20 0.59
FLT3 P36888 1/20 0.58
CDK1 P06493 1/20 0.55
IGF1R P08069 1/20 0.55
FGFR1 P11362 1/20 0.55
BRAF P15056 1/20 0.55
FGFR2 P21802 1/20 0.55
FGFR4 P22455 1/20 0.55
FGFR3 P22607 1/20 0.55
JAK1 P23458 1/20 0.55
CDK2 P24941 1/20 0.55
AXL P30530 1/20 0.55
CDK5 Q00535 1/20 0.55
PTK2B Q14289 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
KIT P10721 1/20 0.54

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
SCHEMBL9778388 0.84 PARP1 (0.52) MEN1KMT2AMAPK10SMOFLT3
SCHEMBL9778394 0.81 PARP1 (0.49) MAPK10FLT3ALDH1A1MAPTTNKS
SCHEMBL4065876 0.80 FLT3 (0.58) MAPK10FLT3ALDH1A1MAPTLMNA
SCHEMBL3340474 0.78 KIT (0.53) ALDH1A1MAPTKITTNKSPARP1
SCHEMBL1597230 0.77 MAPK10 (0.83) MAPK10FLT3IGF1RFGFR1FGFR2
SCHEMBL1597233 0.77 MAPK10 (0.83) MAPK10FLT3IGF1RFGFR1FGFR2
SCHEMBL3067812 0.77 HPGD (0.55) MEN1KMT2AMAPK10ALDH1A1MAPT
SCHEMBL18228562 0.77 HPGD (0.55) MEN1KMT2AMAPK10ALDH1A1MAPT
SCHEMBL1545498 0.76 CDC7 (0.53) MAPK10FLT3FGFR1ALDH1A1PARP1
SCHEMBL9778831 0.76 PARP1 (0.44) MAPK10FLT3ALDH1A1MAPTTNKS

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-5077405-A Condensation of corresponding phenylsulfonyl compound with condensation agent, cyanation, reduction HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-12-31 US disclosed
EP-0417653-A1 3-(1-Substituted-4-piperazinyl)-1H-indazoles, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-03-20 EP disclosed
US-4954503-A ANALGESIC, ANTIPSYCHOTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1990-09-04 US disclosed