SCHEMBL7751128

SCHEMBL7751128

C=CCOc1ncccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.42
▸ TSHR P16473 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ MGMT P16455 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ ATM Q13315 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ SQOR Q9Y6N5 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 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
SCHEMBL3817197 0.79 HPGD (0.45) MAPTTSHRHSD17B10ALDH1A1SQOR
SCHEMBL20587874 0.78 MAPT (0.42) MAPTTSHRHSD17B10ALDH1A1CDK1
SCHEMBL11209909 0.78 MAPT (0.42) MAPTTSHRHSD17B10ALDH1A1ATM
SCHEMBL17459997 0.78 MAPT (0.42) MAPTTSHRHSD17B10ALDH1A1CDK1
SCHEMBL18714305 0.76 MAPT (0.41) MAPTHSD17B10ALDH1A1ATMCHRNB2
SCHEMBL10731953 0.75 CA1 (0.47) MAPTALDH1A1CA12CA1CA2
SCHEMBL28696981 0.75 KMT2A (0.39) MAPTHSD17B10ALDH1A1HPGD
SCHEMBL31700841 0.75 NOS3 (0.34) MAPTALDH1A1HPGD
SCHEMBL29977462 0.75 ALDH1A1 (0.50) TSHRALDH1A1HPGDMAPK1
SCHEMBL1647418 0.75 ALDH1A1 (0.50) TSHRALDH1A1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784671-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2021-03-03 — — EP disclosed
WO-2019201283-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS, INC. (US) 2019-10-24 — — WO disclosed
EP-0934066-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-10-17 — — EP disclosed
US-6177448-B1 THERAPY FOR CHEMOKINE SENSITIVIE DISEASE SMITHKLINE BEECHAM CORPORATION 2001-01-23 — — US disclosed
EP-0934066-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 — — EP disclosed
WO-1998005329-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-02-12 — — WO disclosed
Send feedback