SCHEMBL7729548

SCHEMBL7729548

O=C(c1c[nH]nc1-c1ccccc1)c1c[nH]nc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
LMNA P02545 2/20 0.50
ALOX15 P16050 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
GFER P55789 1/20 0.43
PTGS1 P23219 1/20 0.40
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.37
RAB9A P51151 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
SCHEMBL8189644 0.92 CDC25B (0.49) KDM4ELMNAALOX15SMN1; SMN2ALDH1A1
SCHEMBL8192545 0.89 RORB (0.47) KDM4ELMNAALOX15SMN1; SMN2ALDH1A1
SCHEMBL415485 0.89 KDM4E (0.55) KDM4ELMNAALOX15SMN1; SMN2ALDH1A1
SCHEMBL8189911 0.86 SMN1; SMN2 (0.55) KDM4ELMNAALOX15SMN1; SMN2ALDH1A1
SCHEMBL11957361 0.85 SMN1; SMN2 (0.49) KDM4ELMNAALOX15SMN1; SMN2ALDH1A1
Ethylene SCHEMBL27448159 0.85 KDM4E (0.51) KDM4ELMNAALOX15SMN1; SMN2ALDH1A1
SCHEMBL7666259 0.85 KDM4E (0.47) KDM4ELMNAALOX15SMN1; SMN2ALDH1A1
SCHEMBL418180 0.82 SMN1; SMN2 (0.62) KDM4ELMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL8913939 0.82 KDM4E (0.45) KDM4ELMNAALOX15SMN1; SMN2ALDH1A1
SCHEMBL26056075 0.81 SMN1; SMN2 (0.45) KDM4ELMNAALOX15SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6478988-B1 Photochromic substituted naphthopyran compounds BMC VISION-EASE LENS, INC. 2002-11-12 US disclosed
EP-1016702-A2 Photochromic substituted naphthopyran compounds BMC Vision-Ease Lens Inc. (US) 2000-07-05 EP disclosed