SCHEMBL8185064

SCHEMBL8185064

CCc1cc2c(NCc3ccc(OC)c(Cl)c3)nc(-c3ccc(C(=O)O)cc3)nc2s1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PRKCI P41743 3/20 0.44
PDE4B Q07343 2/20 0.42
PTGER4 P35408 1/20 0.42
PDE4D Q08499 1/20 0.41
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40

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
SCHEMBL8184299 0.93 PRKCI (0.45) PDE5AMEN1KMT2APRKCI
SCHEMBL8179380 0.92 MEN1 (0.54) MEN1KMT2APRKCIUSP2LMNA
SCHEMBL8177243 0.90 MEN1 (0.47) PDE5AMEN1KMT2APDE4BPTGER4
SCHEMBL8184863 0.90 PRKCI (0.48) MEN1KMT2APRKCIUSP2LMNA
SCHEMBL8177848 0.90 PDE5A (0.46) PDE5AMEN1KMT2APDE4BPTGER4
SCHEMBL8183537 0.88 PDE5A (0.45) PDE5AMEN1KMT2APDE4BPTGER4
SCHEMBL5118618 0.88 PRKCI (0.59) PDE5AMEN1KMT2APRKCI
SCHEMBL8178577 0.86 PDE5A (0.47) PDE5AMEN1KMT2APDE4BPTGER4
SCHEMBL8177579 0.85 PRKCI (0.47) KMT2APRKCIUSP2LMNACYP1A2
SCHEMBL8185144 0.85 MEN1 (0.52) MEN1KMT2APRKCILMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed