SCHEMBL9424136

SCHEMBL9424136

COc1ccc(/N=C(\N)N(C)C)c(N2CCOCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.44
MAPT P10636 5/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HTT P42858 3/20 0.40
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
HPGD P15428 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 2/20 0.38
PAX8 Q06710 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL9424138 1.00 PRKDC (0.44) PRKDCMAPTHSD17B10ALDH1A1KDM4E
SCHEMBL9424055 0.90 PRKDC (0.44) PRKDCMAPTALDH1A1KDM4EHTT
SCHEMBL9424051 0.90 PRKDC (0.44) PRKDCMAPTALDH1A1KDM4EHTT
SCHEMBL9424332 0.84 ALDH1A1 (0.40) PRKDCMAPTHSD17B10ALDH1A1HTT
SCHEMBL9424333 0.84 ALDH1A1 (0.40) PRKDCMAPTHSD17B10ALDH1A1HTT
SCHEMBL9424294 0.82 AKR1C3 (0.41) PRKDCMAPTALDH1A1HTTRAB9A
SCHEMBL9424292 0.82 AKR1C3 (0.41) PRKDCMAPTALDH1A1HTTRAB9A
SCHEMBL2707104 0.79 SIGMAR1 (0.40) MAPTHSD17B10ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6553147 0.79 SIGMAR1 (0.40) MAPTHSD17B10ALDH1A1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL9424101 0.78 SIGMAR1 (0.39) MAPTHSD17B10ALDH1A1RAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5373008-A Phenylamidine and phenylguanidine derivatives and their use as anti-diabetic agents THE BOOTS COMPANT PLC. (GB) 1994-12-13 US disclosed
US-5223498-A Hypoglycemic agents THE BOOTS COMPANY PLC (GB) 1993-06-29 US disclosed
EP-0385038-B1 ORTHO-SUBSTITUTED PHENYL AMIDINE AND PHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM The Boots Company PLC (GB) 1993-06-02 EP disclosed
EP-0385038-A1 Ortho-substituted phenyl amidine and phenyl guanidine derivatives and antidiabetic or hypoglycaemic agents containing them The Boots Company PLC (GB) 1990-09-05 EP disclosed