SCHEMBL9030962

SCHEMBL9030962

CCN1C=CC=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.38
ALDH1A1 P00352 1/20 0.38
P2RX4 Q99571 5/20 0.38
P2RX1 P51575 3/20 0.38
P2RX3 P56373 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
P2RX7 Q99572 2/20 0.38
PTBP1 P26599 1/20 0.38
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
MAPK1 P28482 4/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MTNR1A P48039 2/20 0.33

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
SCHEMBL1989267 0.81 MEN1 (0.42) MAPTALDH1A1P2RX4P2RX1P2RX3
SCHEMBL1462848 0.80 TSHR (0.32) MAPTP2RX4P2RX1P2RX3SMN1; SMN2
SCHEMBL20987115 0.79 MAPK1 (0.35) P2RX4P2RX1P2RX3SMN1; SMN2NPSR1
SCHEMBL9030241 0.78 P2RX4 (0.37) MAPTALDH1A1P2RX4P2RX1P2RX3
SCHEMBL11534924 0.77 KMT2A (0.41) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL1249047 0.77 P2RX4 (0.31) P2RX4MAPK1TSHRLMNASCN4A
SCHEMBL1133635 0.75 P2RX4 (0.41) P2RX4P2RX1P2RX3SMN1; SMN2NPSR1
SCHEMBL9261043 0.75 BRD4 (0.36) ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3122652 0.74 P2RX4 (0.40) ALDH1A1P2RX4P2RX1P2RX3SMN1; SMN2
Hydrochloric Acid SCHEMBL29383470 0.74 P2RX4 (0.40) ALDH1A1P2RX4P2RX1P2RX3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1033584-C Benzo-fused lactams that promote release of growth hormone MERCK & CO INC (US) 1996-12-18 CN disclosed
EP-0591255-B1 TETRAHYDROBENZAZEPINE DERIVATIVES WHICH INHIBIT LIPOXYGENASE PFIZER (US) 1996-01-10 EP disclosed
US-5478822-A Tetrahydrobenzazepine derivatives which inhibit lipoxygenase PFIZER INC. (US) 1995-12-26 US disclosed
EP-0591255-A1 TETRAHYDROBENZAZEPINE DERIVATIVES WHICH INHIBIT LIPOXYGENASE. PFIZER (US) 1994-04-13 EP disclosed
WO-1993000335-A1 TETRAHYDROBENZAZEPINE DERIVATIVES WHICH INHIBIT LIPOXYGENASE PFIZER INC. (US) 1993-01-07 WO disclosed