SCHEMBL9621703

SCHEMBL9621703

CC(=O)Nc1cc(N2CCCCC2)nc(=N)n1OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.44
▸ ADORA1 P30542 4/20 0.44
▸ LMNA P02545 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ GBA1 P04062 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ TP53 P04637 2/20 0.35

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
SCHEMBL9621602 0.82 SMN1; SMN2 (0.57) ADORA2AADORA1LMNASMN1; SMN2CYP1A2
SCHEMBL9622031 0.76 CYP1A2 (0.34) ADORA2ASMN1; SMN2CYP1A2KMT2AALDH1A1
SCHEMBL6242679 0.70 KDM4E (0.56) ADORA2AADORA1LMNASMN1; SMN2CYP1A2
SCHEMBL4800021 0.64 ADORA2A (0.48) ADORA2AADORA1SMN1; SMN2CYP1A2KMT2A
SCHEMBL15305699 0.64 ADORA2A (0.57) ADORA2AADORA1SMN1; SMN2CYP1A2KMT2A
Hydrochloric Acid SCHEMBL4652288 0.63 ADORA2A (0.47) ADORA2AADORA1SMN1; SMN2CYP1A2KMT2A
SCHEMBL23451255 0.61 ADORA2A (0.55) ADORA2AADORA1LMNACYP1A2KMT2A
SCHEMBL3412871 0.61 SMN1; SMN2 (0.41) ADORA2AADORA1LMNASMN1; SMN2CYP1A2
SCHEMBL232565 0.61 SMN1; SMN2 (1.00) LMNASMN1; SMN2CYP1A2KMT2ATSHR
SCHEMBL24645772 0.61 MAPT (0.67) SMN1; SMN2CYP1A2KMT2ACYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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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