SCHEMBL11307978

SCHEMBL11307978

Cc1ccc2c(nc3c(=O)n(C)c(=O)nc-3n2C=O)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 9/20 0.40
▸ GSR P00390 4/20 0.40
▸ KDM4C Q9H3R0 8/20 0.39
▸ RAF1 P04049 3/20 0.39
▸ MAP2K1 Q02750 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ POLB P06746 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ GALK1 P51570 3/20 0.39
▸ BLM P54132 3/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ KDM4A O75164 2/20 0.39
▸ ABL1 P00519 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ RIN1 Q13671 2/20 0.39
▸ S1PR2 O95136 2/20 0.39
▸ SMAD3 P84022 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL11304574 0.84 GSR (0.45) TDP2GSRKDM4CRAF1MAP2K1
SCHEMBL11307834 0.76 SMN1; SMN2 (0.48) TDP2GSRKDM4CRAF1MAP2K1
SCHEMBL6679316 0.68 CBFB (0.44) TDP2KDM4CRAF1MAP2K1NPC1
SCHEMBL14301805 0.63 CYP1A2 (0.44) NPC1LMNAPOLBMAPTRAB9A
SCHEMBL14399199 0.61 SMN1; SMN2 (0.58) TDP2GSRKDM4CRAF1MAP2K1
SCHEMBL14958066 0.60 PDE3B (0.35) LMNAPOLBMAPTRAB9ASMN1; SMN2
SCHEMBL28566639 0.60 CLK4 (0.42) LMNAPOLBMAPTRAB9ASMN1; SMN2
SCHEMBL14957158 0.59 PDE3B (0.34) LMNAPOLBMAPTRAB9ASMN1; SMN2
SCHEMBL28411172 0.58 RAB9A (0.37) NPC1LMNAPOLBMAPTRAB9A
SCHEMBL28603619 0.58 CA2 (0.38) LMNAPOLBMAPTRAB9ASMN1; SMN2

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
EP-0030550-A1 ANTIHYPERTENSIVE AGENTS AND THEIR USE IN TREATMENT OF HYPERTENSION TRACHEWSKY, Daniel (US) 1981-06-24 — — EP claimed
WO-1980002799-A1 ANTIHYPERTENSIVE AGENTS AND THEIR USE IN TREATMENT OF HYPERTENSION TRACHEWSKY D 1980-12-24 — — WO claimed
US-4264601-A SUBSTITUTED ISOALLOXAZINES THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 1981-04-28 — — US disclosed
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