SCHEMBL8392115

SCHEMBL8392115

CCCC(=O)Nc1cccc(NC(=N)N2CCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
F2R P25116 8/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
TP53 P04637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.48

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
Hydrochloric Acid SCHEMBL8393848 0.99 POLB (0.53) POLBF2RSMN1; SMN2TP53NPC1
SCHEMBL8392632 0.89 POLB (0.57) POLBF2RSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL8397107 0.88 POLB (0.56) POLBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8394989 0.84 POLB (0.57) POLBSMN1; SMN2RAB9AALDH1A1HTT
SCHEMBL8395561 0.84 MAPT (0.68) POLBSMN1; SMN2NPC1RAB9AUSP2
SCHEMBL8481138 0.83 POLB (0.53) POLBF2RSMN1; SMN2TP53NPC1
Hydrochloric Acid SCHEMBL8392011 0.83 MAPT (0.67) POLBSMN1; SMN2NPC1RAB9AUSP2
SCHEMBL8392821 0.82 GAA (0.59) POLBSMN1; SMN2TP53RAB9AALDH1A1
SCHEMBL10975643 0.81 F2R (0.73) POLBF2RTP53RAB9AALDH1A1
Hydrochloric Acid SCHEMBL8396116 0.81 GAA (0.58) POLBSMN1; SMN2TP53RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690851-B1 GUANIDINE DERIVATIVES USEFUL IN THERAPY ASTRA AB (SE) 1999-05-19 EP claimed
US-5885985-A Guanidine derivatives useful in therapy ASTRA AKTIEBOLAG (SE) 1999-03-23 US claimed
EP-0690851-A1 GUANIDINE DERIVATIVES USEFUL IN THERAPY Astra Aktiebolag (SE) 1996-01-10 EP claimed
WO-1994021621-A1 GUANIDINE DERIVATIVES USEFUL IN THERAPY ASTRA AKTIEBOLAG (SE) 1994-09-29 WO claimed