SCHEMBL9621602

SCHEMBL9621602

CC(=O)Nc1cc(N2CCCCC2)nc(=N)n1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ ADORA2A P29274 5/20 0.47
▸ ADORA1 P30542 4/20 0.47
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ GBA1 P04062 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ NUDT1 P36639 1/20 0.38

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
SCHEMBL9621703 0.82 ADORA2A (0.44) SMN1; SMN2KMT2ACYP1A2LMNATSHR
SCHEMBL6242679 0.74 KDM4E (0.56) SMN1; SMN2KMT2ACYP1A2LMNAADORA2A
SCHEMBL232565 0.73 SMN1; SMN2 (1.00) SMN1; SMN2KMT2ACYP1A2LMNATSHR
Hydrochloric Acid SCHEMBL11532763 0.72 SMN1; SMN2 (0.97) SMN1; SMN2KMT2ACYP1A2LMNATSHR
SCHEMBL28385708 0.71 SMN1; SMN2 (0.97) SMN1; SMN2KMT2ACYP1A2LMNATSHR
SCHEMBL4800021 0.68 ADORA2A (0.48) SMN1; SMN2KMT2ACYP1A2ADORA2AADORA1
SCHEMBL15305699 0.68 ADORA2A (0.57) SMN1; SMN2KMT2ACYP1A2ADORA2AADORA1
Hydrochloric Acid SCHEMBL4652288 0.67 ADORA2A (0.47) SMN1; SMN2KMT2ACYP1A2ADORA2AADORA1
Piperidine SCHEMBL28295718 0.67 SMN1; SMN2 (0.83) SMN1; SMN2KMT2ACYP1A2LMNATSHR
SCHEMBL23451255 0.65 ADORA2A (0.55) KMT2ACYP1A2LMNAADORA2AADORA1

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-0254158-B1 PYRIMIDIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1992-01-29 — — EP disclosed
US-4960888-A Preparation of 6-amino-1,2-dihydro-1-hydroxy-2-imino-4-piperidinopyrimidine compounds RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1990-10-02 — — US disclosed
EP-0254158-A2 Pyrimidin derivatives and process for their preparation RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1988-01-27 — — EP disclosed
EP-0252515-A1 Process for the preparation of 6-amino-1,2-dihydro-1-hydroxy-2-imino-4-piperidino-pyrimidine RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1988-01-13 — — EP disclosed
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