SCHEMBL7983272

SCHEMBL7983272

O=C(O)c1cccc(Br)c1I.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.49
ALDH1A1 P00352 5/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 2/20 0.45
FABP4 P15090 1/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
TSHR P16473 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
AKR1C3 P42330 1/20 0.40
HMGB1 P09429 1/20 0.40
CA6 P23280 1/20 0.40

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
SCHEMBL3266996 0.98 PRNP (0.50) PRNPALDH1A1ALOX15KMT2AFABP4
SCHEMBL2443197 0.82 ALDH1A1 (0.60) ALDH1A1ALOX15KMT2ACA12CA1
Hydrochloric Acid SCHEMBL28309734 0.80 ALDH1A1 (0.57) ALDH1A1ALOX15KMT2ACA12CA1
SCHEMBL21296300 0.79 METAP2 (0.50) PRNPALDH1A1TSHRKDM4EHPGD
SCHEMBL1950873 0.79 ALDH1A1 (0.42) PRNPALDH1A1ALOX15KMT2AFABP4
SCHEMBL8489365 0.79 AKR1C3 (0.52) PRNPALDH1A1KMT2AAKR1C3MAPT
SCHEMBL17799574 0.78 ALDH1A1 (0.62) PRNPALDH1A1ALOX15KMT2AFABP4
SCHEMBL7983270 0.78 ALDH1A1 (0.45) PRNPALDH1A1KMT2AFABP4CA1
SCHEMBL608549 0.76 ALDH1A1 (0.52) ALDH1A1ALOX15KMT2ACA12CA1
SCHEMBL588389 0.76 PRNP (0.53) PRNPALDH1A1ALOX15KMT2AFABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6290926-B1 CATALYSIS OF CARBON MONOXIDE CONVERSION VIA THE WATER-GAS SHIFT REACTION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2001-09-18 US disclosed