SCHEMBL7016164

SCHEMBL7016164

Clc1nc(NCc2ccc3c(c2)OCCO3)c2c3c(sc2n1)CCCC3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
PDE5A O76074 1/20 0.45
PTPN12 Q05209 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
CHRM4 P08173 2/20 0.42
CNR1 P21554 1/20 0.41

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
SCHEMBL7176810 0.96 KMT2A (0.48) HTTMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7012571 0.94 MEN1 (0.52) HTTMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5815269 0.90 MEN1 (0.48) HTTMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7017142 0.86 HTT (0.56) HTTMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5779219 0.84 HTT (0.48) HTTMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5780827 0.84 PRKCI (0.62) PRKCI
SCHEMBL7174355 0.82 HTT (0.53) HTTMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5800724 0.82 MEN1 (0.46) HTTMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL8205598 0.82 PDE5A (0.66) HTTMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5781173 0.81 MEN1 (0.52) HTTMEN1KMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 EP disclosed
US-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
US-6133271-A Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 2000-10-17 US disclosed
US-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US disclosed
EP-0920431-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 1999-06-09 EP disclosed
WO-1998006722-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1998-02-19 WO disclosed