SCHEMBL11636637

SCHEMBL11636637

O=C(Nc1ccccc1)c1cc(Cl)ccc1Br

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 1/20 0.69
F2R P25116 1/20 0.64
GPR27 Q9NS67 1/20 0.59
TP53 P04637 1/20 0.57
PPARG P37231 1/20 0.57
P2RX1 P51575 2/20 0.55
HSPD1 P10809 2/20 0.55
HSPE1 P61604 2/20 0.55
P2RX4 Q99571 1/20 0.55
P2RX7 Q99572 1/20 0.55
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
FADS1 O60427 1/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 1/20 0.54
F12 P00748 1/20 0.53
F10 P00742 1/20 0.53
MAPT P10636 2/20 0.53

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
SCHEMBL3787204 0.85 TMPRSS4 (0.76) TMPRSS4GPR27P2RX1P2RX4P2RX7
SCHEMBL9967909 0.83 HSPD1 (0.67) GPR27TP53PPARGP2RX1HSPD1
SCHEMBL10612716 0.83 TMPRSS4 (0.73) TMPRSS4GPR27TP53PPARGP2RX1
SCHEMBL538439 0.82 TMPRSS4 (1.00) TMPRSS4TP53P2RX1P2RX4P2RX7
SCHEMBL23003264 0.81 TMPRSS4 (0.69) TMPRSS4GPR27P2RX1P2RX4P2RX7
SCHEMBL12319804 0.81 TMPRSS4 (0.69) TMPRSS4GPR27P2RX1P2RX4P2RX7
SCHEMBL2227567 0.80 MEN1 (0.76) TMPRSS4GPR27TP53MEN1KMT2A
SCHEMBL3325727 0.79 TMPRSS4 (0.68) TMPRSS4GPR27P2RX1P2RX4P2RX7
SCHEMBL882734 0.79 KMT2A (0.80) F2RTP53HSPD1HSPE1MEN1
SCHEMBL7172686 0.79 TMPRSS4 (0.77) TMPRSS4GPR27TP53P2RX1P2RX4

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-4102924-A REACTING ACYLAMINO-ARYLS WITH HALO-ARYLS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-25 US disclosed