SCHEMBL11537172

SCHEMBL11537172

CCCCc1nnc2sc3ccc(C)c(F)c3n12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DCTPP1 Q9H773 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TNKS O95271 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ PARP15 Q460N3 1/20 0.33
▸ PARP14 Q460N5 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ TIPARP Q7Z3E1 1/20 0.33
▸ PARP16 Q8N5Y8 1/20 0.33
▸ PARP12 Q9H0J9 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ PARP11 Q9NR21 1/20 0.33
▸ PARP2 Q9UGN5 1/20 0.33
▸ PARP4 Q9UKK3 1/20 0.33
▸ PARP3 Q9Y6F1 1/20 0.33
▸ HPGD P15428 2/20 0.32

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
SCHEMBL11746654 0.68 CHEK1 (0.53) KDM4EALDH1A1TSHRHSD17B10TNKS2
SCHEMBL11534725 0.67 CHEK1 (0.51) KDM4EALDH1A1TSHRHSD17B10TNKS2
SCHEMBL11746637 0.62 PARP10 (0.37) KDM4EALDH1A1TSHRHSD17B10TDP1
SCHEMBL24620946 0.61 TYR (0.39) TSHRTDP1HPGD
SCHEMBL11536244 0.61 — —
SCHEMBL23624528 0.59 TYR (0.37) TSHRTDP1
SCHEMBL12238347 0.59 TYR (0.46) TSHRTDP1HPGD
SCHEMBL11750120 0.57 BRPF1 (0.42) KDM4EALDH1A1TSHRHSD17B10TDP1
SCHEMBL11744435 0.56 BRPF1 (0.55) KDM4EALDH1A1TSHRHSD17B10TDP1
SCHEMBL11745480 0.56 CHEK1 (0.60) KDM4EALDH1A1TSHRHSD17B10TDP1

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-4134914-A 1-Acyl-4-substituted phenyl thiosemicarbazides ELI LILLY AND COMPANY (US) 1979-01-16 — — US disclosed
US-4082762-A 4-(2-HALOPHENYL)-1,2,4-TRIAZOLE-3-THIOL COMPOUNDS ELI LILLY AND COMPANY (US) 1978-04-04 — — US disclosed
US-3937713-A Process for the preparation of s-triazolo[3,4-b]benzothiazoles ELI LILLY AND COMPANY (US) 1976-02-10 — — US disclosed
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