SCHEMBL9537980

SCHEMBL9537980

Cc1cccc(-c2ccccc2)c1N=C(N)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.47
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
POLB P06746 2/20 0.38
PLA2G7 Q13093 1/20 0.37
LIPE Q05469 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
SCHEMBL9059154 0.88 POLB (0.40) SIGMAR1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL9061389 0.86 SIGMAR1 (0.39) SIGMAR1MEN1KMT2AALDH1A1GRIN2D
SCHEMBL11485191 0.84 SIGMAR1 (0.50) SIGMAR1HTTMEN1KMT2AKDM4E
SCHEMBL9537516 0.81 SIGMAR1 (0.42) SIGMAR1HTTMEN1KMT2AKDM4E
SCHEMBL9061357 0.79 SIGMAR1 (0.60) SIGMAR1HTTMEN1KMT2AKDM4E
SCHEMBL9537649 0.74 POLB (0.39) SIGMAR1KMT2AKDM4ESMN1; SMN2POLB
SCHEMBL9059598 0.74 SIGMAR1 (0.54) SIGMAR1HTTMEN1KMT2AKDM4E
SCHEMBL9060002 0.73 SIGMAR1 (0.40) SIGMAR1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9537404 0.70 SIGMAR1 (0.39) SIGMAR1KMT2ALMNATSHR
Iodide SCHEMBL10827362 0.70 SIGMAR1 (0.55) SIGMAR1HTTMEN1KMT2AKDM4E

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-0180352-B1 BENZENE-FUSED HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-26 EP disclosed
US-4767780-A SUBSTITUTED 1,4-DIHYDRO-(1)-BENZOPYRANO(4,3-C)PYRAZOLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-08-30 US disclosed
US-4675324-A Substituted pyrazolo [4,3-c]pyridines and their use as uricosuric, diuretic and anti-hypertensive agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-06-23 US disclosed
EP-0180352-A2 Benzene-fused heterocyclic compound FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed