SCHEMBL11559144

SCHEMBL11559144

O=C(Nc1nnn[nH]1)c1cccc(Br)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPD1 P10809 3/20 0.40
▸ HSPE1 P61604 3/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ F2 P00734 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALPL P05186 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ RAB9A P51151 4/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TERT O14746 1/20 0.37
▸ F2R P25116 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36

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
SCHEMBL11556569 0.84 KDM4E (0.40) KMT2AMAPTKDM4EALPLPOLB
SCHEMBL11557699 0.83 TERT (0.40) KMT2AF2KDM4EALPLPOLB
SCHEMBL11560867 0.83 KLKB1 (0.50) KMT2AF2MAPTKDM4EALPL
SCHEMBL12310841 0.83 MMP2 (0.45) KMT2AKDM4EALPLPOLBALDH1A1
SCHEMBL11559491 0.83 KDR (0.51) KMT2AF2MAPTKDM4EALPL
SCHEMBL11559540 0.81 ERN1 (0.38) KMT2AKDM4EALPLPOLBMEN1
SCHEMBL11560143 0.81 MAPT (0.40) KMT2AMAPTKDM4EALPLPOLB
SCHEMBL11560337 0.81 MEN1 (0.54) HSPD1HSPE1KMT2AMAPTKDM4E
SCHEMBL11562864 0.80 KLKB1 (0.53) KMT2AMAPTKDM4EPOLBMEN1
SCHEMBL11559525 0.80 CXCR2 (0.39) KMT2AMAPTKDM4EALPLPOLB

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-4146631-A ANTIALLERGENS, RESPIRATORY DISORDERS MAY & BAKER LIMITED (GB) 1979-03-27 — — US disclosed
Send feedback