SCHEMBL9769748

SCHEMBL9769748

COCCCc1[c]cccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.36
TSHR P16473 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DAO P14920 1/20 0.32
KCNA3 P22001 1/20 0.31
KCNH3 Q9ULD8 1/20 0.31
CA2 P00918 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL28096670 0.94 KCNA3 (0.34) KCNH2TSHRALDH1A1MAPK1KDM4E
SCHEMBL198567 0.88 TSHR (0.37) KCNH2TSHRALDH1A1MAPK1CA2
SCHEMBL3191925 0.81 SMN1; SMN2 (0.38) KCNH2ALDH1A1MAPK1KDM4ELMNA
SCHEMBL2528409 0.81 MAOA (0.31)
SCHEMBL3450884 0.81 HTR2A (0.30)
SCHEMBL5587200 0.81 KCNH2 (0.33) KCNH2LMNAKCNA3IDO1
SCHEMBL8883515 0.81 KCNA3 (0.56) KCNH2TSHRALDH1A1KCNA3
SCHEMBL10713027 0.80 LTA4H (0.41) TSHRALDH1A1MAPK1LMNAMEN1
SCHEMBL11429729 0.80 HRH3 (0.37) KCNH2TSHRALDH1A1MEN1HPGD
SCHEMBL11863151 0.79 SIGMAR1 (0.32) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071994-A Intermediates for positive working photographic compounds, analgesics; anti-inflammatory agents FUJI PHOTO FILM CO., LTD. (JP) 1991-12-10 US claimed
EP-0190444-B1 OPTICAL-RECORDING MEDIUM BASF Aktiengesellschaft (DE) 1988-09-21 EP disclosed
EP-0190444-A1 Optical-recording medium BASF Aktiengesellschaft (DE) 1986-08-13 EP disclosed
US-4198205-A SULFONIC ACID-FREE DISPERSE DYES BASF AKTIENGESELLSCHAFT (DE) 1980-04-15 US disclosed