SCHEMBL9866034

SCHEMBL9866034

Cc1ccc(CSCCNC(=N)NCCCc2c[nH]cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
LMNA P02545 3/20 0.43
HPGD P15428 3/20 0.40
POLB P06746 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ATM Q13315 1/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.37

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
SCHEMBL9868517 0.89 KMT2A (0.42) ALDH1A1LMNAHPGDPOLBSMN1; SMN2
SCHEMBL9865256 0.88 ALDH1A1 (0.45) ALDH1A1LMNAPOLBSMN1; SMN2KMT2A
SCHEMBL9876539 0.88 CYP1A2 (0.38) ALDH1A1LMNAHPGDSMN1; SMN2HTT
SCHEMBL9877140 0.85 ALDH1A1 (0.40) ALDH1A1LMNAHPGDPOLBSMN1; SMN2
SCHEMBL9867267 0.84 LMNA (0.35) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL9867195 0.83 HPGD (0.39) ALDH1A1LMNAHPGDPOLBKMT2A
SCHEMBL9867335 0.83 EPHX2 (0.35) ALDH1A1LMNAHPGDSMN1; SMN2
Impromidine SCHEMBL7171545 0.83 HRH2 (0.32) LMNASMN1; SMN2KMT2AMEN1
Impromidine SCHEMBL407158 0.83 SLC47A1 (0.47) LMNASMN1; SMN2KMT2AMEN1
SCHEMBL9865647 0.82 GAA (0.45) ALDH1A1LMNAHPGDPOLBSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5021431-A H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion HEUMANN PHARMA GMBH & CO. (DE) 1991-06-04 US disclosed
EP-0199845-B1 IMIDAZOLYLALKYLGUANIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1990-08-01 EP disclosed