SCHEMBL6976663

SCHEMBL6976663

COc1cc2c(=O)c(Cc3ccccc3)cn3c4cc(Br)ccc4c(c1)c23

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RX7 Q99572 2/20 0.38
LMNA P02545 2/20 0.38
IDH1 O75874 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAOB P27338 1/20 0.36
GPR55 Q9Y2T6 3/20 0.35
PLA2G2A P14555 2/20 0.35
MAPK8 P45983 2/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL6980050 0.88 GABRA1 (0.39) KMT2AALDH1A1CNR2
SCHEMBL6971415 0.87 CYP11B1 (0.34) TSHRMAPK1KMT2A
SCHEMBL6979202 0.86 HSD17B3 (0.37) IDH1ALDH1A1
SCHEMBL6978641 0.84 CYP11B1 (0.33) TSHRMAPK1KMT2A
SCHEMBL7674354 0.84 GABRA1 (0.39) KMT2AALDH1A1CNR2
SCHEMBL6978385 0.81 CYP19A1 (0.37) TSHRMAPK1KMT2ALMNAALDH1A1
SCHEMBL6977175 0.80 GABRA1 (0.39) TSHRMAPK1KMT2AALDH1A1CNR2
SCHEMBL6977199 0.77 GABRA1 (0.39) KMT2AALDH1A1MAOB
SCHEMBL6974311 0.77 GABRA1 (0.37) KMT2AALDH1A1
SCHEMBL6979014 0.77 GABRA1 (0.41) KMT2AALDH1A1CNR2

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
EP-0985671-B1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
EP-0992240-A1 THERAPEUTIC AGENT FOR ERECTION FAILURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP disclosed
EP-0985671-A1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
US-6018046-A SELECTIVE ACTION IN INHIBITING CYCLIC GMP-PHOSPHODIESTERASE (CGMP-PDE); PHARMACEUTICALS FOR TREATING DISEASES AGAINST WHICH THE INHIBITORY ACTION IS EFFECTIVE, SUCH AS PULMONARY HYPERTENSION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed