SCHEMBL10502867

SCHEMBL10502867

Cc1cc(C)nc(N=C(N)NN(C)C)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ CRHBP P24387 5/20 0.55
▸ CRHR2 Q13324 5/20 0.55
▸ KMT2A Q03164 5/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ MAPT P10636 1/20 0.50
▸ NR4A1 P22736 1/20 0.50
▸ HTT P42858 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ AHR P35869 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ RAD52 P43351 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
SCHEMBL9621981 0.76 CRHBP (0.59) LMNAALDH1A1CRHBPCRHR2KMT2A
SCHEMBL9621983 0.76 CRHBP (0.59) LMNAALDH1A1CRHBPCRHR2KMT2A
SCHEMBL22833791 0.74 MEN1 (0.55) LMNAALDH1A1CRHBPCRHR2KMT2A
SCHEMBL10637670 0.72 MAPK1 (0.55) LMNAALDH1A1CRHBPCRHR2KMT2A
SCHEMBL10925579 0.72 SMN1; SMN2 (0.60) LMNAALDH1A1CRHBPCRHR2KMT2A
SCHEMBL10500943 0.72 CRHBP (0.36) LMNAALDH1A1CRHBPCRHR2KMT2A
SCHEMBL9739709 0.72 CRHBP (0.54) LMNAALDH1A1CRHBPCRHR2KMT2A
SCHEMBL10926838 0.71 CRHBP (0.47) LMNAALDH1A1CRHBPCRHR2KMT2A
SCHEMBL10498926 0.71 CRHBP (0.83) LMNAALDH1A1CRHBPCRHR2KMT2A
SCHEMBL10501638 0.70 MAPK1 (0.58) LMNAALDH1A1CRHBPCRHR2KMT2A

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-4797484-A REACTING GUANIDINE DERIVATIVE WITH SULPHONYL HALIDE BAYER AKTIENGESELLSCHAFT (DE) 1989-01-10 — — US disclosed
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