SCHEMBL8177887

SCHEMBL8177887

Cc1sc2nc(-c3ccc(C(=O)O)cc3)nc(NCCc3ccc4c(c3)OCCO4)c2c1C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 4/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
THRB P10828 1/20 0.43
CHRM4 P08173 1/20 0.42
POLB P06746 1/20 0.41
RAD52 P43351 1/20 0.41
CNR2 P34972 1/20 0.40
CFTR P13569 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
SCHEMBL8177394 0.95 PRKCI (0.46) PRKCIALDH1A1LMNASMN1; SMN2HTT
SCHEMBL8171043 0.92 PRKCI (0.44) PRKCIALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8172557 0.92 LMNA (0.41) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL7622344 0.88 PRKCI (0.61) PRKCIALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8177717 0.86 PRKCI (0.44) PRKCIALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8170144 0.86 CFTR (0.44) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL8183436 0.86 LMNA (0.43) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL7010123 0.86 PDE5A (0.49) PRKCIALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8180183 0.85 ALDH1A1 (0.43) ALDH1A1MAPTLMNAHTTTHRB
SCHEMBL8182385 0.85 PTGS2 (0.51) PRKCIMAPTSMN1; SMN2CNR2

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